5-acetyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0321 |
| Compound Name: | 5-acetyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 450.57 |
| Molecular Formula: | C21 H26 N2 O5 S2 |
| Smiles: | CCOc1ccc(CNS(c2ccc3c(c2)N(CCCS3)C(C)=O)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.111 |
| logD: | 3.1108 |
| logSw: | -3.5494 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.221 |
| InChI Key: | DYTVWVXTVYBEFW-UHFFFAOYSA-N |