(E)-2-[3-[[[3-(2-Pyridylethynyl)-2-cyclohexen-1-ylidene]amino]oxy]propoxy]ethyl Methanesulfonate - CAS 1451015-35-2
Catalog: |
BB009882 |
Product Name: |
(E)-2-[3-[[[3-(2-Pyridylethynyl)-2-cyclohexen-1-ylidene]amino]oxy]propoxy]ethyl Methanesulfonate |
CAS: |
1451015-35-2 |
Synonyms: |
methanesulfonic acid 2-[3-[(E)-[3-[2-(2-pyridinyl)ethynyl]-1-cyclohex-2-enylidene]amino]oxypropoxy]ethyl ester; 2-[3-[(E)-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-ylidene]amino]oxypropoxy]ethyl methanesulfonate |
IUPAC Name: | 2-[3-[[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-ylidene]amino]oxypropoxy]ethyl methanesulfonate |
Description: | (E)-2-[3-[[[3-(2-Pyridylethynyl)-2-cyclohexen-1-ylidene]amino]oxy]propoxy]ethyl Methanesulfonate (CAS# 1451015-35-2 ) is a useful research chemical. |
Molecular Weight: | 392.47 |
Molecular Formula: | C19H24N2O5S |
Canonical SMILES: | CS(=O)(=O)OCCOCCCON=C1CCCC(=C1)C#CC2=CC=CC=N2 |
InChI: | InChI=1S/C19H24N2O5S/c1-27(22,23)26-15-14-24-12-5-13-25-21-19-8-4-6-17(16-19)9-10-18-7-2-3-11-20-18/h2-3,7,11,16H,4-6,8,12-15H2,1H3/b21-19+ |
InChI Key: | JCGLNYSBUTWZRS-XUTLUUPISA-N |
LogP: | 3.37970 |
Complexity: | 682 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 392.14059304 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 392.14059304 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 95.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 1.6 |
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Pyridines
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