2-(3-chloro-4-methylphenyl)-N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-4266 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-N-(cyclopropylmethyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 492.88 |
| Molecular Formula: | C23 H20 Cl F3 N4 O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(NCC2CC2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1134 |
| logD: | 5.1133 |
| logSw: | -5.6134 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.181 |
| InChI Key: | YPMIUCGKHYKCAQ-UHFFFAOYSA-N |