AC1M1UI7
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_813368|NCGC00135469-01|G856-0933|2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one|F0580-0293|3-(3,5-dimethylphenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one|2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C28H24N4O2S |
|---|---|
| Molecular Weight | 480.162 g/mol |
| LogP | 5.16524 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.162 |
| Monoisotopic Mass | 480.162 |
| Heavy Atoms | 35 |
| Complexity | 1664.0894 |
Chemical Identifiers
| CAS Number | 536705-40-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCC6=CC=CC=C65)C |
Product Overview
AC1M1UI7 (CAS 536705-40-5), with molecular formula C28H24N4O2S and molecular weight 480.162 g/mol. IUPAC: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one.
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