N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)prop-2-enamide
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)prop-2-enamide
Compound characteristics
Compound ID: | D413-0005 |
Compound Name: | N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)prop-2-enamide |
Molecular Weight: | 508.38 |
Molecular Formula: | C26 H19 Cl F N5 O |
Salt: | HCl |
Smiles: | C(=C/c1ccc(cc1)F)\C(Nc1nc2NC(=CC(c3ccc(cc3)[Cl])n2n1)c1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.3396 |
logD: | 6.3382 |
logSw: | -6.5406 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.671 |
InChI Key: | IGBUIWKTBCWPFT-QHCPKHFHSA-N |