2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-naphthalen-1-ylacetamide
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![2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-naphthalen-1-ylacetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/15b084ad6cd64eb68a7dc66d15aba5cb.png "2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-naphthalen-1-ylacetamide")
2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-naphthalen-1-ylacetamide
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CAS No:
586994-97-0
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Formula:
C27H20ClN3O2S2
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Chemical Name:
2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-naphthalen-1-ylacetamide
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Synonyms:
586994-97-0;ZINC2397494;SALOR-INT L417327-1EA;STL342210;AKOS002192361;MCULE-4006548978;ST50085710;2-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(naphthalen-1-yl)acetamide;2-[3-(4-chlorophenyl)-4-oxo(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5- b]thiophen-2-ylthio)]-N-naphthylacetamide;2-{[3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}-N-(1-NAPHTHYL)ACETAMIDE;2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
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CAS No:
2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-naphthalen-1-ylacetamide Basic Attributes
518.1 g/mol
517.0685469 g/mol
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:518.1
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:517.0685469
Monoisotopic Mass:517.0685469
Topological Polar Surface Area:115
Heavy Atom Count:35
Complexity:848
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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