4-[(3-chlorophenyl)methyl]-2-(2-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-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-N-[(furan-2-yl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V003-0386 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-(2-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(Cc2cccc(c2)[Cl])C(N(c2ccccc2F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0633 |
| logD: | 4.0419 |
| logSw: | -4.4247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.106 |
| InChI Key: | IFIFCMBUUFSODE-UHFFFAOYSA-N |