2-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyanilino)-4-oxobutanoic acid
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyanilino)-4-oxobutanoic acid
2-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyanilino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | IB05-9370 |
| Compound Name: | 2-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyanilino)-4-oxobutanoic acid |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C22 H26 Cl N3 O4 |
| Smiles: | COc1ccc(cc1)NC(CC(CN1CCN(CC1)c1ccc(cc1)[Cl])C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.78 |
| logD: | 0.07 |
| logSw: | -3.49 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.93 |
| InChI Key: | MMJSTGFXDNTDON-INIZCTEOSA-N |