2-(3-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V005-8928 |
| Compound Name: | 2-(3-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 495.46 |
| Molecular Formula: | C25 H20 F3 N5 O3 |
| Smiles: | Cc1cccc(c1)N1C(N(Cc2cccc(c2)C(F)(F)F)C(C(C(NCc2cccnc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6826 |
| logD: | 3.6801 |
| logSw: | -3.6764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.176 |
| InChI Key: | NFEPDRQDAAJWPL-UHFFFAOYSA-N |