N-benzyl-N-ethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-benzyl-N-ethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-benzyl-N-ethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1617 |
| Compound Name: | N-benzyl-N-ethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 376.49 |
| Molecular Formula: | C18 H20 N2 O3 S2 |
| Smiles: | CCN(Cc1ccccc1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.951 |
| logD: | 2.9508 |
| logSw: | -3.5371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.49 |
| InChI Key: | CFJQGHJTTPYSBX-UHFFFAOYSA-N |