4-{[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
4-{[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D413-0091 |
| Compound Name: | 4-{[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 453.88 |
| Molecular Formula: | C22 H20 Cl N5 O4 |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccc(cc2)[Cl])Nc2nc(NC(CCC(O)=O)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3506 |
| logD: | 0.4012 |
| logSw: | -4.1158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.87 |
| InChI Key: | PXQOOBNYCYSALL-SFHVURJKSA-N |