N-(3-methylbutyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3-methylbutyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1558 |
| Compound Name: | N-(3-methylbutyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C14 H20 N2 O3 S2 |
| Smiles: | CC(C)CCNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5938 |
| logD: | 2.5936 |
| logSw: | -3.1817 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.262 |
| InChI Key: | DNWXXLJDIJLCMU-UHFFFAOYSA-N |