5-{[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-5-oxopentanoic acid
Chemical Structure Depiction of
5-{[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-5-oxopentanoic acid
5-{[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | D413-0092 |
| Compound Name: | 5-{[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-5-oxopentanoic acid |
| Molecular Weight: | 467.91 |
| Molecular Formula: | C23 H22 Cl N5 O4 |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccc(cc2)[Cl])Nc2nc(NC(CCCC(O)=O)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3911 |
| logD: | 0.7939 |
| logSw: | -4.2303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.87 |
| InChI Key: | DCZOGNKBUKFZBT-LJQANCHMSA-N |