2-(3,4-dimethylphenyl)-4-[(3-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[(3-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
2-(3,4-dimethylphenyl)-4-[(3-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V022-5902 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[(3-methylphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(CN2C(C(C(N3CCN(C)CC3)=O)=NN(C2=O)c2ccc(C)c(C)c2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8391 |
| logD: | 3.7946 |
| logSw: | -3.7507 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.37 |
| InChI Key: | BNXJAGPFEBDUIG-UHFFFAOYSA-N |