Oprea1_705370
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_705370|2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one|F0580-0282|2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one|2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one
CAS: 536705-29-0
| Molecular Formula | C25H18ClN3O2S |
|---|---|
| Molecular Weight | 459.0808 g/mol |
| LogP | 5.80382 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.0808 |
| Monoisotopic Mass | 459.0808 |
| Heavy Atoms | 32 |
| Complexity | 1519.9718 |
Chemical Identifiers
| CAS Number | 536705-29-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
Oprea1_705370 (CAS 536705-29-0), with molecular formula C25H18ClN3O2S and molecular weight 459.0808 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-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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