AC1O0JKK
2-[(2-fluorophenyl)methylsulfanyl]-6,6-dimethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 2-((2-fluorobenzyl)thio)-6,6-dimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one|2-{[(2-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one|F0576-0236|2-[(2-fluorophenyl)methylsulfanyl]-6,6-dimethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one|2-[(2-fluorophenyl)methylsulfanyl]-6,6-dimethyl-9-(4-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C24H22FN5O3S |
|---|---|
| Molecular Weight | 479.14273 g/mol |
| LogP | 5.2758 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.14273 |
| Monoisotopic Mass | 479.14273 |
| Heavy Atoms | 34 |
| Complexity | 1332.6313 |
Chemical Identifiers
| CAS Number | 536985-90-7 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4F)N2)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
AC1O0JKK (CAS 536985-90-7), with molecular formula C24H22FN5O3S and molecular weight 479.14273 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-6,6-dimethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
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