2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-4-(4-methoxyanilino)-4-oxobutanoic acid
Chemical Structure Depiction of
2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-4-(4-methoxyanilino)-4-oxobutanoic acid
2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-4-(4-methoxyanilino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | IB05-9836 |
| Compound Name: | 2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-4-(4-methoxyanilino)-4-oxobutanoic acid |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C23 H28 Cl N3 O4 |
| Smiles: | COc1ccc(cc1)NC(CC(CN1CCN(CC1)Cc1cccc(c1)[Cl])C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4 |
| logD: | -0.31 |
| logSw: | -3.35 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.94 |
| InChI Key: | WIASPMYCCVJOGH-SFHVURJKSA-N |