AC1N5QUE
2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Also Known As: Oprea1_771522|AB00668849-01|2-((3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide|F0580-0601|2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide|2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C28H23N5O3S2 |
|---|---|
| Molecular Weight | 541.1242 g/mol |
| LogP | 5.91462 |
| Topological Polar Surface Area | 101.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.1242 |
| Monoisotopic Mass | 541.1242 |
| Heavy Atoms | 38 |
| Complexity | 1871.859 |
Chemical Identifiers
| CAS Number | 536708-48-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NC6=C(S5)C=C(C=C6)C |
Product Overview
AC1N5QUE (CAS 536708-48-2), with molecular formula C28H23N5O3S2 and molecular weight 541.1242 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
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