AC1N4MDY
methyl 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate
Also Known As: Oprea1_541629|IFLab1_002358|methyl 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate|F0580-0831|methyl 2-((3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)propanoate|methyl 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate
CAS: 536713-96-9
| Molecular Formula | C20H16ClN3O3S |
|---|---|
| Molecular Weight | 413.0601 g/mol |
| LogP | 4.174 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.0601 |
| Monoisotopic Mass | 413.0601 |
| Heavy Atoms | 28 |
| Complexity | 1264.7594 |
Chemical Identifiers
| CAS Number | 536713-96-9 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Cl)NC4=CC=CC=C42 |
Product Overview
AC1N4MDY (CAS 536713-96-9), with molecular formula C20H16ClN3O3S and molecular weight 413.0601 g/mol. IUPAC: methyl 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]propanoate.
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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