4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
Chemical Structure Depiction of
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | M116-1872 |
| Compound Name: | 4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C27 H27 N3 O3 |
| Smiles: | Cc1ccccc1CNC(c1ccc(CN2CCN(Cc3ccccc3)C(C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4988 |
| logD: | 3.4986 |
| logSw: | -3.3804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.697 |
| InChI Key: | SOZQOTVRFMWASV-UHFFFAOYSA-N |