AC1M0DNC
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: Oprea1_032525|Oprea1_351895|BAS 02052741|SR-01000434353-1|METHYL 2-(3-CHLORO-1-BENZOTHIOPHENE-2-AMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE|methyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-[(3-chlorobenzo[b]thiophen-2-yl)carbonylamino]-4,5,6,7,8-pentahydrocy clohepta[2,1-b]thiophene-3-carboxylate|methyl 2-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C20H18ClNO3S2 |
|---|---|
| Molecular Weight | 419.04166 g/mol |
| LogP | 5.924 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.04166 |
| Monoisotopic Mass | 419.04166 |
| Heavy Atoms | 27 |
| Complexity | 1037.4481 |
Chemical Identifiers
| CAS Number | 317325-75-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
AC1M0DNC (CAS 317325-75-0), with molecular formula C20H18ClNO3S2 and molecular weight 419.04166 g/mol. IUPAC: methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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