4-[(4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V008-2846 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 488.4 |
| Molecular Formula: | C23 H16 F4 N4 O4 |
| Salt: | not_available |
| Smiles: | C(c1ccco1)NC(C1C(N(Cc2ccc(cc2)F)C(N(c2cccc(c2)C(F)(F)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2914 |
| logD: | 4.27 |
| logSw: | -4.4022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.407 |
| InChI Key: | RTJWXRNBFSQPRE-UHFFFAOYSA-N |