N,N-diethyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N,N-diethyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N,N-diethyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-8705 |
| Compound Name: | N,N-diethyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 460.45 |
| Molecular Formula: | C23 H23 F3 N4 O3 |
| Smiles: | CCN(CC)C(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccc(C)cc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1839 |
| logD: | 4.1839 |
| logSw: | -4.1132 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.177 |
| InChI Key: | NQYJDFFMECCDQP-UHFFFAOYSA-N |