2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-nitrophenyl)acetamide
2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | C714-0370 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C25 H23 N3 O6 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N(CC(Nc2ccc(cc2)[N+]([O-])=O)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3755 |
| logD: | 4.3727 |
| logSw: | -4.3752 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.47 |
| InChI Key: | RCJAGFMUVGDVBR-QHCPKHFHSA-N |