5-acetyl-N-(3-acetylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(3-acetylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(3-acetylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0132 |
| Compound Name: | 5-acetyl-N-(3-acetylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C19 H20 N2 O4 S2 |
| Smiles: | CC(c1cccc(c1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9303 |
| logD: | 2.3238 |
| logSw: | -3.609 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.098 |
| InChI Key: | IYUHVFMLKQHBIE-UHFFFAOYSA-N |