2-(azepane-1-carbonyl)-N-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
2-(azepane-1-carbonyl)-N-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-2156 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | C1CCCN(CC1)C(c1cc2CC(CCc2s1)C(NCc1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9693 |
| logD: | 2.9668 |
| logSw: | -3.0583 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.088 |
| InChI Key: | KKHHRHVTDUNNEJ-QGZVFWFLSA-N |