ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
Also Known As: Oprea1_324029|NCGC00135730-01|SR-01000907049-1|ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate|G856-1121|F0580-0641|ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate|ethyl {[3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]thio}acetate|ethyl 2-((3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.12527 g/mol |
| LogP | 3.9209 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.12527 |
| Monoisotopic Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1261.3439 |
Chemical Identifiers
| CAS Number | 536710-45-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OCC |
Product Overview
ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate (CAS 536710-45-9), with molecular formula C22H21N3O4S and molecular weight 423.12527 g/mol. IUPAC: ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate.
ethyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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