N-[4-(2-{4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl}acetamido)-2,5-dimethoxyphenyl]benzamide
Chemical Structure Depiction of
N-[4-(2-{4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl}acetamido)-2,5-dimethoxyphenyl]benzamide
N-[4-(2-{4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl}acetamido)-2,5-dimethoxyphenyl]benzamide
Compound characteristics
| Compound ID: | K940-3010 |
| Compound Name: | N-[4-(2-{4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl}acetamido)-2,5-dimethoxyphenyl]benzamide |
| Molecular Weight: | 566.06 |
| Molecular Formula: | C29 H32 Cl N5 O5 |
| Smiles: | COc1cc(c(cc1NC(CN1CCN(CC1)CC(Nc1ccccc1[Cl])=O)=O)OC)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6945 |
| logD: | 3.6719 |
| logSw: | -4.0417 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.069 |
| InChI Key: | GWCVGEVJMXQCNH-UHFFFAOYSA-N |