N-[(2-chlorophenyl)methyl]-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(2-chlorophenyl)methyl]-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C714-0464 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C27 H27 Cl N2 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(CC(NCc2ccccc2[Cl])=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8769 |
| logD: | 4.8769 |
| logSw: | -4.932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.128 |
| InChI Key: | PLHDVJBNWWPDFF-XMMPIXPASA-N |