2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-0021 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C25 H22 F N5 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(N(Cc2cccc(c2)F)C(C(C(NCc2ccncc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5532 |
| logD: | 3.5445 |
| logSw: | -3.568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.086 |
| InChI Key: | CERAREPYWYRVRE-UHFFFAOYSA-N |