N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1653 |
| Compound Name: | N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C19 H22 N2 O5 S2 |
| Smiles: | CCOc1ccc(CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3552 |
| logD: | 2.3549 |
| logSw: | -2.9933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.989 |
| InChI Key: | UYOAWLGPPSRNMM-UHFFFAOYSA-N |