N-[(3-chloro-4-fluorophenyl)methyl]-4-{[2,3-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-4-{[2,3-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide
N-[(3-chloro-4-fluorophenyl)methyl]-4-{[2,3-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide
Compound characteristics
| Compound ID: | M116-0562 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-4-{[2,3-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C22 H23 Cl F N3 O3 |
| Smiles: | CC(C)N1CCN(Cc2ccc(cc2)C(NCc2ccc(c(c2)[Cl])F)=O)C(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.668 |
| logD: | 2.6679 |
| logSw: | -3.6385 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.855 |
| InChI Key: | MOXVBEMQJSUCJP-UHFFFAOYSA-N |