Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCCSc2ccc(/C(=C\C3CCCC3)c3ccc(C)c(=O)[nH]3)cc2Cl)cc1- InChIKey
VWESFCPBIZARJC-XIEYBQDHSA-N- Molecular formula
- C29H32ClNO4S2
- Average molar mass
- 558.2 g/mol
Names & identifiers
- Preferred name
- 3-({2-chloro-4-[(E)-2-cyclopentyl-1-(5-methyl-6-oxo-1,6-dihydropyridin-2-yl)ethenyl]phenyl}sulfanyl)propyl 4-methylbenzenesulfonate
- IUPAC
- 3-[2-chloro-4-[(E)-2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]phenyl]sulfanylpropyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL2415455VWESFCPBIZARJC-XIEYBQDHSA-N3-({2-chloro-4-[(E)-2-cyclopentyl-1-(5-methyl-6-oxo-1,6-dihydropyridin-2-yl)ethenyl]phenyl}sulfanyl)propyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86658009
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 986
Related reactions
2 records
Compound notes
Loading…