5-acetyl-N-tert-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-tert-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-tert-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0030 |
| Compound Name: | 5-acetyl-N-tert-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C15 H22 N2 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NC(C)(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4352 |
| logD: | 2.4351 |
| logSw: | -2.9327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.689 |
| InChI Key: | DCXHJOZASBVQDS-UHFFFAOYSA-N |