2-(4-chlorophenyl)-3,5-dioxo-N-(propan-2-yl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-3,5-dioxo-N-(propan-2-yl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(4-chlorophenyl)-3,5-dioxo-N-(propan-2-yl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-0393 |
| Compound Name: | 2-(4-chlorophenyl)-3,5-dioxo-N-(propan-2-yl)-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 466.85 |
| Molecular Formula: | C21 H18 Cl F3 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)NC(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccc(cc2)[Cl])N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.458 |
| logD: | 4.4579 |
| logSw: | -4.6661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.904 |
| InChI Key: | NJRASKCUBYRXMG-UHFFFAOYSA-N |