AC1O0KRJ
2-[(2-chlorophenyl)methylsulfanyl]-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one|F0576-0123|2-((2-chlorobenzyl)thio)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-[(2-chlorophenyl)methylsulfanyl]-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one|2-[(2-chlorophenyl)methylsulfanyl]-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C22H18ClFN4OS |
|---|---|
| Molecular Weight | 440.0874 g/mol |
| LogP | 5.3849 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0874 |
| Monoisotopic Mass | 440.0874 |
| Heavy Atoms | 30 |
| Complexity | 1158.1992 |
Chemical Identifiers
| CAS Number | 536982-67-9 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4Cl)N2)C5=CC=C(C=C5)F)C(=O)C1 |
Product Overview
AC1O0KRJ (CAS 536982-67-9), with molecular formula C22H18ClFN4OS and molecular weight 440.0874 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
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