N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0225 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C27 H28 N2 O4 S |
| Smiles: | COc1ccc(CCNC(CN2C(CC(c3ccccc3)Sc3ccccc23)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6916 |
| logD: | 3.6916 |
| logSw: | -4.0575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.252 |
| InChI Key: | GSPXMNXEKYPRIG-VWLOTQADSA-N |