N-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0347 |
| Compound Name: | N-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C25 H23 Cl N2 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N(CC(Nc2cccc(c2)[Cl])=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2034 |
| logD: | 5.2032 |
| logSw: | -5.7104 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.089 |
| InChI Key: | MRNWPAYFWWMNKA-HSZRJFAPSA-N |