AC1NDWCV
2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: Oprea1_131776|NCGC00135503-01|G856-0952|F0580-0317|2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide|2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide|2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17258 g/mol |
| LogP | 3.87114 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.17258 |
| Monoisotopic Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1382.0593 |
Chemical Identifiers
| CAS Number | 536705-64-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5CCCO5)C |
Product Overview
AC1NDWCV (CAS 536705-64-3), with molecular formula C25H26N4O3S and molecular weight 462.17258 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
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