AC1NNV3G
butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
Also Known As: AK-968/41024590|butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate|butyl 4-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate|butyl 4-(3-(2-(3-isopropoxyphenyl)quinoline-4-carbonyl)thioureido)benzoate|BUTYL 4-{[({[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}BENZOATE|butyl 4-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}benzoate
CAS: 445237-53-6
| Molecular Formula | C31H31N3O4S |
|---|---|
| Molecular Weight | 541.20355 g/mol |
| LogP | 6.7727 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.20355 |
| Monoisotopic Mass | 541.20355 |
| Heavy Atoms | 39 |
| Complexity | 1485.2068 |
Chemical Identifiers
| CAS Number | 445237-53-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C |
Product Overview
AC1NNV3G (CAS 445237-53-6), with molecular formula C31H31N3O4S and molecular weight 541.20355 g/mol. IUPAC: butyl 4-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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