N-benzyl-4-oxo-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-benzyl-4-oxo-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-benzyl-4-oxo-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1600 |
| Compound Name: | N-benzyl-4-oxo-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C24 H24 N2 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N(CCc1ccccc1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4312 |
| logD: | 4.431 |
| logSw: | -4.3361 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.472 |
| InChI Key: | JOTFQFCSIQRTPY-UHFFFAOYSA-N |