2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-4254 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 546.91 |
| Molecular Formula: | C26 H19 Cl F4 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(NCc2ccc(cc2)F)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8117 |
| logD: | 5.7752 |
| logSw: | -6.0744 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.658 |
| InChI Key: | BTCYIBZKACKRBH-UHFFFAOYSA-N |