AC1NPVKY
2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile
Also Known As: SR-01000561211-1|2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile|{[3-(2-Ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile|2-{[3-(2-ETHOXYPHENYL)-6-(4-FLUOROPHENYL)-7-OXO-2-SULFANYLIDENE-2H,3H,6H,7H-[1,3]THIAZOLO[4,5-D]PYRIMIDIN-5-YL]SULFANYL}ACETONITRILE
| Molecular Formula | C21H15FN4O2S3 |
|---|---|
| Molecular Weight | 470.03412 g/mol |
| LogP | 5.12087 |
| Topological Polar Surface Area | 72.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.03412 |
| Monoisotopic Mass | 470.03412 |
| Heavy Atoms | 31 |
| Complexity | 1418.0671 |
Chemical Identifiers
| CAS Number | 6795-69-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC#N)C4=CC=C(C=C4)F)SC2=S |
Product Overview
AC1NPVKY (CAS 6795-69-3), with molecular formula C21H15FN4O2S3 and molecular weight 470.03412 g/mol. IUPAC: 2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile.
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