N-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V031-0653 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 479.43 |
| Molecular Formula: | C22 H21 F4 N5 O3 |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccccc2F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8658 |
| logD: | 1.7486 |
| logSw: | -3.4186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.336 |
| InChI Key: | CYHFLZWOFQFDHO-UHFFFAOYSA-N |