Ethyl [({[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}acetyl)anilino]acetate
Basic information
- CAS
332912-17-1- Standard SMILES
CCOC(=O)CN(C(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N)c1ccccc1- InChIKey
MHLMODKFVIITQQ-UHFFFAOYSA-N- Molecular formula
- C31H27N3O4S
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 537.17222752
Names & identifiers
- Preferred name
- Ethyl [({[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}acetyl)anilino]acetate
- IUPAC
- ethyl 2-(N-[2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetyl]anilino)acetate
- English name
- ethyl [({[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}acetyl)anilino]acetate
- Molecular formula
- C31H27N3O4S
- Molecular weight
- 537.62878
Names & synonyms
ethyl [({[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}acetyl)anilino]acetateAKOS000571787ethyl 2-(N-[2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetyl]anilino)acetateST50255481AG-690/40750020ethyl 2-{2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl(2-pyridylthio)]-N-phenylacety lamino}acetate
Database identifiers
- CAS
332912-17-1- PubChem CID
- 3134123
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 827
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Compound notes
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