(2-Benzylsulfinylcyclohexyl) 3-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylpropanoate
Basic information
- CAS
488783-88-6- Standard SMILES
N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)OC1CCCCC1S(=O)Cc1ccccc1- InChIKey
LWFZMPQZNNSCAO-UHFFFAOYSA-N- Molecular formula
- C32H30N2O3S3
- Average molar mass
- 586.8 g/mol
- Monoisotopic mass
- 586.14185634
Names & identifiers
- Preferred name
- (2-Benzylsulfinylcyclohexyl) 3-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylpropanoate
- IUPAC
- (2-benzylsulfinylcyclohexyl) 3-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoate
- English name
- 2-(benzylsulfinyl)cyclohexyl 3-{[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridinyl]sulfanyl}propanoate
- Molecular formula
- C32H30N2O3S3
- Molecular weight
- 586.7872
Names & synonyms
2-(benzylsulfinyl)cyclohexyl 3-{[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridinyl]sulfanyl}propanoateOprea1_708710AK-777/36841037(2-benzylsulfinylcyclohexyl) 3-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylpropanoate
Database identifiers
- CAS
488783-88-6- PubChem CID
- 3569760
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 882
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Related reactions
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Compound notes
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