Oprea1_303871
methyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: Oprea1_303871|Oprea1_645247|AK-968/15252476|methyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-(3,4-dimethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-{[(3,4-dimethoxyphenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C20H23NO5S |
|---|---|
| Molecular Weight | 389.1297 g/mol |
| LogP | 4.0731 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.1297 |
| Monoisotopic Mass | 389.1297 |
| Heavy Atoms | 27 |
| Complexity | 858.29724 |
Chemical Identifiers
| CAS Number | 438471-77-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)OC |
Product Overview
Oprea1_303871 (CAS 438471-77-3), with molecular formula C20H23NO5S and molecular weight 389.1297 g/mol. IUPAC: methyl 2-[(3,4-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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