AC1N4GK0
benzyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
Also Known As: Oprea1_467131|AB00668855-01|F0580-0644|benzyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate|benzyl 2-((3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate|benzyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
CAS: 536710-48-2
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14093 g/mol |
| LogP | 5.1012 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.14093 |
| Monoisotopic Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1542.6136 |
Chemical Identifiers
| CAS Number | 536710-48-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OCC5=CC=CC=C5 |
Product Overview
AC1N4GK0 (CAS 536710-48-2), with molecular formula C27H23N3O4S and molecular weight 485.14093 g/mol. IUPAC: benzyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate.
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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