N-(2-methylbutan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2-methylbutan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2-methylbutan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1585 |
| Compound Name: | N-(2-methylbutan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C14 H20 N2 O3 S2 |
| Smiles: | CCC(C)(C)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9807 |
| logD: | 1.9805 |
| logSw: | -2.8395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.924 |
| InChI Key: | NBICKJSMZLHUTJ-UHFFFAOYSA-N |