10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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![10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-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/20220811/f233da5548b744c1b9866dfbe751d88f.png "10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one")
10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-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:
354795-49-6
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Formula:
C23H17ClN4OS2
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Chemical Name:
10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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Synonyms:
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one;354795-49-6;Oprea1_576484;ZINC2180554;STK558698;AKOS005484526;MCULE-1160159702;ST51026595;AO-364/14479007;2-(((1H-Benzo[d]imidazol-2-yl)methyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one;2-(benzimidazol-2-ylmethylthio)-3-(4-chlorophenyl)-3,5,6,7-tetrahydrocyclopent a[1,2-b]pyrimidino[5,4-d]thiophen-4-one
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CAS No:
10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one Basic Attributes
465.0 g/mol
464.0532312 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, 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:465.0
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:464.0532312
Monoisotopic Mass:464.0532312
Topological Polar Surface Area:115
Heavy Atom Count:31
Complexity:730
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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