N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-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-(4-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-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | D413-0247 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 501.95 |
| Molecular Formula: | C27 H21 Cl F N5 O2 |
| Smiles: | COc1ccc(/C=C/C(Nc2nc3NC(=CC(c4ccc(cc4)F)n3n2)c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.427 |
| logD: | 6.4152 |
| logSw: | -6.6167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.215 |
| InChI Key: | OHKYQSZGKWPNJZ-XMMPIXPASA-N |