N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | D413-0205 |
| Compound Name: | N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C27 H22 F N5 O2 |
| Smiles: | COc1ccc(/C=C/C(Nc2nc3NC(=CC(c4ccc(cc4)F)n3n2)c2ccccc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7272 |
| logD: | 5.7259 |
| logSw: | -5.691 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.215 |
| InChI Key: | KQKWMCZTOKOMDC-DEOSSOPVSA-N |