5-acetyl-N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0048 |
| Compound Name: | 5-acetyl-N-(3,5-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(Nc1cc(cc(c1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1891 |
| logD: | 2.3924 |
| logSw: | -3.679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.359 |
| InChI Key: | MCIYLVHSWZGVEW-UHFFFAOYSA-N |