6-(4-acetylpiperazine-1-carbonyl)-4-[(2-fluorophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-(4-acetylpiperazine-1-carbonyl)-4-[(2-fluorophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
6-(4-acetylpiperazine-1-carbonyl)-4-[(2-fluorophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V012-4790 |
| Compound Name: | 6-(4-acetylpiperazine-1-carbonyl)-4-[(2-fluorophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C26 H28 F N5 O4 |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2ccccc2F)C(C(C(N2CCN(CC2)C(C)=O)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3579 |
| logD: | 3.3579 |
| logSw: | -3.2983 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.089 |
| InChI Key: | VAAVOSNVAQUVSR-UHFFFAOYSA-N |