5-acetyl-N-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0006 |
| Compound Name: | 5-acetyl-N-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C19 H22 N2 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7243 |
| logD: | 2.3886 |
| logSw: | -3.4683 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.532 |
| InChI Key: | BXWNDFZOEDKFRL-UHFFFAOYSA-N |