AC1LJRNQ
2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: KS-00003RV3|SS-0398|AM-807/41464800|2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(3,4-dimethoxyphenethyl)acetamide|2-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide|2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide|2-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
| Molecular Formula | C26H22F3N3O5S |
|---|---|
| Molecular Weight | 545.1232 g/mol |
| LogP | 4.83598 |
| Topological Polar Surface Area | 102.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.1232 |
| Monoisotopic Mass | 545.1232 |
| Heavy Atoms | 38 |
| Complexity | 1391.7625 |
Chemical Identifiers
| CAS Number | 625378-06-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(F)(F)F)C#N)OC |
Product Overview
AC1LJRNQ (CAS 625378-06-5), with molecular formula C26H22F3N3O5S and molecular weight 545.1232 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
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