4-[(3-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-0104 |
| Compound Name: | 4-[(3-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 488.4 |
| Molecular Formula: | C23 H16 F4 N4 O4 |
| Smiles: | C(c1ccco1)NC(C1C(N(Cc2cccc(c2)F)C(N(c2ccc(cc2)C(F)(F)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3958 |
| logD: | 4.3744 |
| logSw: | -4.4729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.407 |
| InChI Key: | AATQOWXFUIXNAI-UHFFFAOYSA-N |