5-acetyl-N-(2,5-diethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(2,5-diethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(2,5-diethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0198 |
| Compound Name: | 5-acetyl-N-(2,5-diethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 450.57 |
| Molecular Formula: | C21 H26 N2 O5 S2 |
| Smiles: | CCOc1ccc(c(c1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.8529 |
| logD: | 2.6564 |
| logSw: | -3.919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.907 |
| InChI Key: | SHWZGWYFKAXFFO-UHFFFAOYSA-N |