AC1M1URP
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_256153|NCGC00135694-01|G856-1090|F0580-0575|3-(4-ethoxyphenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one|2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one|2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C28H24N4O3S |
|---|---|
| Molecular Weight | 496.15692 g/mol |
| LogP | 4.9471 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.15692 |
| Monoisotopic Mass | 496.15692 |
| Heavy Atoms | 36 |
| Complexity | 1655.8677 |
Chemical Identifiers
| CAS Number | 536708-22-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCC6=CC=CC=C65 |
Product Overview
AC1M1URP (CAS 536708-22-2), with molecular formula C28H24N4O3S and molecular weight 496.15692 g/mol. IUPAC: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one.
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