6-(4-acetylpiperazine-1-carbonyl)-4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-(4-acetylpiperazine-1-carbonyl)-4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
6-(4-acetylpiperazine-1-carbonyl)-4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | V002-3914 |
| Compound Name: | 6-(4-acetylpiperazine-1-carbonyl)-4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 495.97 |
| Molecular Formula: | C25 H26 Cl N5 O4 |
| Smiles: | CC(N1CCN(CC1)C(C1C(N(Cc2cccc(c2)[Cl])C(N(c2cc(C)cc(C)c2)N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5509 |
| logD: | 3.5509 |
| logSw: | -3.623 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.089 |
| InChI Key: | KESHNQYHIPMTHB-UHFFFAOYSA-N |