AC1N7LEV
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: Oprea1_797395|AB00668807-01|F0580-0108|N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide|N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide|N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C22H18N6O2S3 |
|---|---|
| Molecular Weight | 494.06534 g/mol |
| LogP | 4.5613 |
| Topological Polar Surface Area | 105.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.06534 |
| Monoisotopic Mass | 494.06534 |
| Heavy Atoms | 33 |
| Complexity | 1509.4401 |
Chemical Identifiers
| CAS Number | 537668-75-0 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 |
Product Overview
AC1N7LEV (CAS 537668-75-0), with molecular formula C22H18N6O2S3 and molecular weight 494.06534 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
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