4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V021-8400 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 416.84 |
| Molecular Formula: | C20 H18 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)NC(C1C(N(Cc2cccc(c2)[Cl])C(N(c2ccccc2F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6529 |
| logD: | 3.6529 |
| logSw: | -4.0221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.603 |
| InChI Key: | YWIFGUWJPNUHOB-UHFFFAOYSA-N |