4-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V008-2844 |
| Compound Name: | 4-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 454.84 |
| Molecular Formula: | C22 H16 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | C(c1ccco1)NC(C1C(N(Cc2ccccc2[Cl])C(N(c2ccc(cc2)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9139 |
| logD: | 3.8925 |
| logSw: | -4.2619 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.407 |
| InChI Key: | COPMVXLPWKAINS-UHFFFAOYSA-N |