N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | D413-0248 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(2-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 501.95 |
| Molecular Formula: | C27 H21 Cl F N5 O2 |
| Smiles: | COc1ccccc1/C=C/C(Nc1nc2NC(=CC(c3ccc(cc3)F)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5601 |
| logD: | 6.5483 |
| logSw: | -6.5337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.301 |
| InChI Key: | ZTJJYQNEZHCBJW-HSZRJFAPSA-N |