4-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V011-6054 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 478.91 |
| Molecular Formula: | C25 H20 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1C(N(Cc2cccc(c2)[Cl])C(C(C(NCc2ccc(cc2)F)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7582 |
| logD: | 4.7217 |
| logSw: | -4.8269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.658 |
| InChI Key: | JLXXYWCKIJJGQU-UHFFFAOYSA-N |