10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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![10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/13009702f5594ae8abc49bfc0f2c5f95.png "10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one")
10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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CAS No:
372087-10-0
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Formula:
C17H13BrN2O2S2
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Chemical Name:
10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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Synonyms:
Oprea1_009739;ZINC2272023;STL325922;STL579880;AKOS022137459;MCULE-2100929480;1-(4-bromophenyl)-2-[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanone;2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one;2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one;372087-10-0
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CAS No:
10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one Basic Attributes
421.3 g/mol
419.96018 g/mol
Computed Properties
Molecular Weight:421.3
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:419.96018
Monoisotopic Mass:419.96018
Topological Polar Surface Area:112
Heavy Atom Count:24
Complexity:563
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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