5-acetyl-N-(3,4-difluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(3,4-difluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(3,4-difluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0180 |
| Compound Name: | 5-acetyl-N-(3,4-difluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 398.45 |
| Molecular Formula: | C17 H16 F2 N2 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(c(c1)F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.546 |
| logD: | 1.1046 |
| logSw: | -3.977 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.271 |
| InChI Key: | PANQWOMMHUVYJV-UHFFFAOYSA-N |