4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-4210 |
| Compound Name: | 4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 511.46 |
| Molecular Formula: | C25 H20 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN2C(C(C(NCc3ccccn3)=O)=NN(C2=O)c2ccc(cc2)C(F)(F)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6686 |
| logD: | 3.6464 |
| logSw: | -4.0843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.745 |
| InChI Key: | GHPGSZLCBGVJRC-UHFFFAOYSA-N |