N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0199 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C25 H24 N2 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(CC(c2ccccc2)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3569 |
| logD: | 4.3569 |
| logSw: | -4.3111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.089 |
| InChI Key: | LCXQNEPVWNVJJB-QHCPKHFHSA-N |