AC1MORE5
2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: Oprea1_049259|NCGC00135509-01|G856-0960|2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide|F0580-0332|2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-fluorobenzyl)acetamide|2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C27H23FN4O2S |
|---|---|
| Molecular Weight | 486.1526 g/mol |
| LogP | 5.03144 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.1526 |
| Monoisotopic Mass | 486.1526 |
| Heavy Atoms | 35 |
| Complexity | 1602.6909 |
Chemical Identifiers
| CAS Number | 536705-79-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5=CC=C(C=C5)F)C |
Product Overview
AC1MORE5 (CAS 536705-79-0), with molecular formula C27H23FN4O2S and molecular weight 486.1526 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
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