N-ethyl-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-ethyl-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-ethyl-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V009-3457 |
| Compound Name: | N-ethyl-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 486.37 |
| Molecular Formula: | C21 H16 F6 N4 O3 |
| Salt: | not_available |
| Smiles: | CCNC(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccc(cc2)C(F)(F)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.035 |
| logD: | 4.0349 |
| logSw: | -4.1048 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.556 |
| InChI Key: | NISGUHRTVJKXEK-UHFFFAOYSA-N |