N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-0639 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Smiles: | COc1ccc(CNC(C2CCc3c(C2)cc(C(N2CCCC2)=O)s3)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0287 |
| logD: | 3.0287 |
| logSw: | -3.281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.866 |
| InChI Key: | OYBUWCUKXNRCRU-MRXNPFEDSA-N |