1-(2,5-dimethylphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
1-(2,5-dimethylphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
Compound characteristics
| Compound ID: | V022-1212 |
| Compound Name: | 1-(2,5-dimethylphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C20 H21 N3 O4 |
| Smiles: | CC1C(N(CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)c1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5135 |
| logD: | 3.5135 |
| logSw: | -3.6437 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.057 |
| InChI Key: | MDSGUYKSRUIERZ-HNNXBMFYSA-N |