N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C756-0213 |
| Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | COc1ccc(c(CCNC(CN2C(CCSc3ccccc23)=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9424 |
| logD: | 2.9424 |
| logSw: | -3.5347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.437 |
| InChI Key: | GPOLZNUHPVUQPW-UHFFFAOYSA-N |