N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-9677 |
| Compound Name: | N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 464.42 |
| Molecular Formula: | C22 H20 F4 N4 O3 |
| Smiles: | CCN(CC)C(C1C(N(Cc2cccc(c2)C(F)(F)F)C(N(c2ccccc2F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6515 |
| logD: | 3.6515 |
| logSw: | -3.9385 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.876 |
| InChI Key: | LQPLRVMDTHHJGY-UHFFFAOYSA-N |