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

Base Information

Chemical Name:N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}butanamide
CAS No.:6139-20-4
Molecular Formula:C22H20N4O2S3
Molecular Weight:468.6
Hs Code.:
DSSTox Substance ID:DTXSID90368348
Wikidata:Q82154816

$N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-4-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}butanamide$

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;STL306149;AKOS001053664;EU-0076481;AB00685716-01;SR-01000477521;SR-01000477521-1;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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Chemical Property of 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

Chemical Property:

Vapor Pressure:9.41E-23mmHg at 25°C
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:468.07483941
Heavy Atom Count:31
Complexity:758

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Canonical SMILES:C1CCC2=C(C1)C(=C(S2)NC(=O)CC(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5)C#N

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Technology Process of 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

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

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