N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butanamide
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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butanamide
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CAS No:
6139-20-4
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Formula:
C22H20N4O2S3
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Chemical Name:
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butanamide
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Synonyms:
315711-76-3;F1174-1959;6139-20-4;N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}butanamide;ChemDiv1_009110;HMS612O02;DTXSID90368348;C22H20N4O2S3;ZINC3267626;STL306149;AKOS001053664;MCULE-7296945149;EU-0076481;ST50051088;AB00685716-01;SR-01000477521;SR-01000477521-1;N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-oxo-4-(5,6,7-trihydrocy clopenta[1,2-d]pyrimidino[4,5-b]thiophen-4-ylthio)butanamide;N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-3-oxobutanamide;N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-3-oxobutanamide
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CAS No:
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butanamide Basic Attributes
468.6 g/mol
468.07483941 g/mol
DTXSID90368348
Computed Properties
Molecular Weight:468.6
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:468.07483941
Monoisotopic Mass:468.07483941
Topological Polar Surface Area:178
Heavy Atom Count:31
Complexity:758
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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