N-(butan-2-yl)-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-(butan-2-yl)-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-1882 |
| Compound Name: | N-(butan-2-yl)-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H21 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)NC(C1C(N(Cc2cccc(c2)C(F)(F)F)C(N(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7515 |
| logD: | 3.7515 |
| logSw: | -4.0481 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.371 |
| InChI Key: | PVSMFMSCQMQJDF-AWEZNQCLSA-N |