3-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1783 |
| Compound Name: | 3-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 390.52 |
| Molecular Formula: | C19 H22 N2 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NS(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4507 |
| logD: | 4.4186 |
| logSw: | -4.2315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.097 |
| InChI Key: | HWTUEGNJXSSMSZ-CYBMUJFWSA-N |