10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(2-methylprop-2-enyl)-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-(2-methylprop-2-enyl)-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/20220812/9d35e3b887b444e7b4b23de76bdba141.png "10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(2-methylprop-2-enyl)-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-(2-methylprop-2-enyl)-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:
702650-18-8
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Formula:
C21H20N4OS2
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Chemical Name:
10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(2-methylprop-2-enyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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Synonyms:
702650-18-8;10-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one;2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-3-(2-methylallyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one;CBKinase1_006023;CBKinase1_018423;ZINC2848285;AKOS024609138;MCULE-7931872242;BRD-K53885517-001-01-9;F1684-0276;10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(2-methylprop-2-enyl)-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:
10-(1H-benzimidazol-2-ylmethylsulfanyl)-11-(2-methylprop-2-enyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one Basic Attributes
408.5 g/mol
408.10785362 g/mol
Computed Properties
Molecular Weight:408.5
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:408.10785362
Monoisotopic Mass:408.10785362
Topological Polar Surface Area:115
Heavy Atom Count:28
Complexity:683
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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