AC1O1GOR
4-[[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid
Also Known As: 3-{[7-(4-CHLOROPHENYL)-5-PHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBAMOYL}PROPANOIC ACID|4-((7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-4-oxobutanoic acid|4-[[7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid|4-{[7-(4-chlorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C21H18ClN5O3 |
|---|---|
| Molecular Weight | 423.1098 g/mol |
| LogP | 3.7908 |
| Topological Polar Surface Area | 109.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.1098 |
| Monoisotopic Mass | 423.1098 |
| Heavy Atoms | 30 |
| Complexity | 1109.4303 |
Chemical Identifiers
| CAS Number | 836645-56-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(N3C(=NC(=N3)NC(=O)CCC(=O)O)N2)C4=CC=C(C=C4)Cl |
Product Overview
AC1O1GOR (CAS 836645-56-8), with molecular formula C21H18ClN5O3 and molecular weight 423.1098 g/mol. IUPAC: 4-[[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid.
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