2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V007-7880 |
| Compound Name: | 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 458.88 |
| Molecular Formula: | C22 H20 Cl F N4 O4 |
| Smiles: | C1CC(CNC(C2C(N(Cc3ccc(cc3)F)C(N(c3ccc(cc3)[Cl])N=2)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8247 |
| logD: | 2.8237 |
| logSw: | -3.618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | HCIWBIXJPBNSEJ-GOSISDBHSA-N |