AC1NNP1Y
2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: Oprea1_295137|AB00668868-01|F0580-0802|2-((3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-fluorobenzyl)acetamide|2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide|2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C25H18ClFN4O2S |
|---|---|
| Molecular Weight | 492.0823 g/mol |
| LogP | 5.068 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.0823 |
| Monoisotopic Mass | 492.0823 |
| Heavy Atoms | 34 |
| Complexity | 1580.27 |
Chemical Identifiers
| CAS Number | 536713-38-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NCC4=CC=C(C=C4)F)C5=CC(=CC=C5)Cl |
Product Overview
AC1NNP1Y (CAS 536713-38-9), with molecular formula C25H18ClFN4O2S and molecular weight 492.0823 g/mol. IUPAC: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
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