4-{[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid--hydrogen chloride (1/1)
4-{[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0049 |
| Compound Name: | 4-{[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 455.9 |
| Molecular Formula: | C22 H21 N5 O4 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccccc2)Nc2nc(NC(CCC(O)=O)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6508 |
| logD: | -0.2986 |
| logSw: | -3.1464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.87 |
| InChI Key: | LCNZAUCAPFHYBC-SFHVURJKSA-N |