AC1NE09V
2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: Oprea1_208724|NCGC00135465-01|2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide|G856-1214|F0580-0787|2-((3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide|2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C23H21ClN4O3S |
|---|---|
| Molecular Weight | 468.1023 g/mol |
| LogP | 3.9077 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.1023 |
| Monoisotopic Mass | 468.1023 |
| Heavy Atoms | 32 |
| Complexity | 1360.6201 |
Chemical Identifiers
| CAS Number | 536713-08-3 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53 |
Product Overview
AC1NE09V (CAS 536713-08-3), with molecular formula C23H21ClN4O3S and molecular weight 468.1023 g/mol. IUPAC: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
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