N-(2-methylpropyl)-3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-(2-methylpropyl)-3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-4786 |
| Compound Name: | N-(2-methylpropyl)-3,5-dioxo-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H21 F3 N4 O3 |
| Smiles: | CC(C)CNC(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9867 |
| logD: | 3.9867 |
| logSw: | -4.1806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.93 |
| InChI Key: | ZJBVCMILZZFQKU-UHFFFAOYSA-N |