2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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![2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a8dab46c552640c0b64132a093fe31d6.png "2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide")
2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
structure -
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CAS No:
731840-07-6
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Formula:
C20H20N4O2S3
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Chemical Name:
2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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Synonyms:
ZINC3309188;AKOS033737158;MCULE-4963097979;SR-01000048268;SR-01000048268-1;Z20227809;2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;731840-07-6
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CAS No:
2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Basic Attributes
444.6 g/mol
444.07483941 g/mol
Computed Properties
Molecular Weight:444.6
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:444.07483941
Monoisotopic Mass:444.07483941
Topological Polar Surface Area:180
Heavy Atom Count:29
Complexity:653
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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