4-{[5,7-bis(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[5,7-bis(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
4-{[5,7-bis(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D413-0133 |
| Compound Name: | 4-{[5,7-bis(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 458.3 |
| Molecular Formula: | C21 H17 Cl2 N5 O3 |
| Smiles: | C(CC(Nc1nc2NC(=CC(c3ccc(cc3)[Cl])n2n1)c1ccc(cc1)[Cl])=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9629 |
| logD: | 1.0135 |
| logSw: | -4.7076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.326 |
| InChI Key: | BPAOPNXGYUMKDW-QGZVFWFLSA-N |