N-benzyl-2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-benzyl-2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-0971 |
| Compound Name: | N-benzyl-2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C27 H25 F N4 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(N(Cc2cccc(c2)F)C(C(C(N(C)Cc2ccccc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2344 |
| logD: | 5.2344 |
| logSw: | -5.0522 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.395 |
| InChI Key: | QAVPTKFRUAVBNS-UHFFFAOYSA-N |