N-[(pyridin-2-yl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
N-[(pyridin-2-yl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
N-[(pyridin-2-yl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-0562 |
| Compound Name: | N-[(pyridin-2-yl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C20 H23 N3 O2 S |
| Smiles: | C1CCN(C1)C(c1cc2CC(CCc2s1)C(NCc1ccccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.504 |
| logD: | 2.5038 |
| logSw: | -2.7947 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.148 |
| InChI Key: | PDNITXXITXUGOO-CQSZACIVSA-N |