2-(3-fluoro-4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3-fluoro-4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-fluoro-4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-0956 |
| Compound Name: | 2-(3-fluoro-4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C25 H22 F N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2C(C(C(NCc3ccccn3)=O)=NN(C2=O)c2ccc(C)c(c2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8298 |
| logD: | 3.8076 |
| logSw: | -3.7754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.201 |
| InChI Key: | PMFBKFHTDKZIRF-UHFFFAOYSA-N |