N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)prop-2-enamide
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)prop-2-enamide
Compound characteristics
Compound ID: | D413-0114 |
Compound Name: | N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)prop-2-enamide |
Molecular Weight: | 501.95 |
Molecular Formula: | C27 H21 Cl F N5 O2 |
Smiles: | COc1ccc(cc1)C1C=C(c2ccc(cc2)[Cl])Nc2nc(NC(/C=C/c3ccc(cc3)F)=O)nn12 |
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: | IOBNCVMHEWNWNG-XMMPIXPASA-N |