N-(2,2-dimethoxyethyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(2,2-dimethoxyethyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0078 |
| Compound Name: | N-(2,2-dimethoxyethyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C15 H20 N2 O4 S |
| Smiles: | COC(CNC(CN1C(CCSc2ccccc12)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.7718 |
| logD: | 0.7718 |
| logSw: | -2.0418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.187 |
| InChI Key: | UUTZDTTWLHMOEV-UHFFFAOYSA-N |