6-(4-acetylpiperazine-1-carbonyl)-4-benzyl-2-(3,4-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-(4-acetylpiperazine-1-carbonyl)-4-benzyl-2-(3,4-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
6-(4-acetylpiperazine-1-carbonyl)-4-benzyl-2-(3,4-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V016-8793 |
| Compound Name: | 6-(4-acetylpiperazine-1-carbonyl)-4-benzyl-2-(3,4-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CC(N1CCN(CC1)C(C1C(N(Cc2ccccc2)C(N(c2ccc(C)c(C)c2)N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0167 |
| logD: | 3.0167 |
| logSw: | -3.1378 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.089 |
| InChI Key: | NRHNPJBDIPTEMK-UHFFFAOYSA-N |