N-(3-bromophenyl)-4-{[2,3-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide
Chemical Structure Depiction of
N-(3-bromophenyl)-4-{[2,3-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide
N-(3-bromophenyl)-4-{[2,3-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide
Compound characteristics
| Compound ID: | M116-0557 |
| Compound Name: | N-(3-bromophenyl)-4-{[2,3-dioxo-4-(propan-2-yl)piperazin-1-yl]methyl}benzamide |
| Molecular Weight: | 444.33 |
| Molecular Formula: | C21 H22 Br N3 O3 |
| Smiles: | CC(C)N1CCN(Cc2ccc(cc2)C(Nc2cccc(c2)[Br])=O)C(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1952 |
| logD: | 3.1889 |
| logSw: | -3.3755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.533 |
| InChI Key: | VRHYZBXXGCMQPF-UHFFFAOYSA-N |