3,5-dioxo-2-phenyl-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
3,5-dioxo-2-phenyl-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
3,5-dioxo-2-phenyl-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-4805 |
| Compound Name: | 3,5-dioxo-2-phenyl-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 481.43 |
| Molecular Formula: | C24 H18 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | C(c1cccnc1)NC(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1737 |
| logD: | 3.1713 |
| logSw: | -3.1309 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.176 |
| InChI Key: | JKGRMMYTHDGMQA-UHFFFAOYSA-N |