AC1M1UUH
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_785667|NCGC00135389-01|2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one|G856-1131|2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one|F0580-0661|2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
CAS: 536710-65-3
| Molecular Formula | C24H23FN4O2S |
|---|---|
| Molecular Weight | 450.1526 g/mol |
| LogP | 4.5008 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.1526 |
| Monoisotopic Mass | 450.1526 |
| Heavy Atoms | 32 |
| Complexity | 1338.1278 |
Chemical Identifiers
| CAS Number | 536710-65-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
AC1M1UUH (CAS 536710-65-3), with molecular formula C24H23FN4O2S and molecular weight 450.1526 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one.
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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