N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1635 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 450.57 |
| Molecular Formula: | C21 H26 N2 O5 S2 |
| Smiles: | CCOc1ccc(CCNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.5689 |
| logD: | 2.5686 |
| logSw: | -3.1026 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.41 |
| InChI Key: | NDMDCGWOMGUIOE-UHFFFAOYSA-N |