4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-4895 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 499.42 |
| Molecular Formula: | C24 H17 F4 N5 O3 |
| Salt: | not_available |
| Smiles: | C(c1cccnc1)NC(C1C(N(Cc2ccc(cc2)F)C(N(c2cccc(c2)C(F)(F)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.313 |
| logD: | 3.3106 |
| logSw: | -3.2937 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.176 |
| InChI Key: | VKRUHDQFJXDKEZ-UHFFFAOYSA-N |