Basic information
- Standard SMILES
CSC1=CC(c2cccc(Cl)c2)C(C(=O)OCCCc2ccccc2)=C(C)N1- InChIKey
WYRDQOXFDJLGEL-UHFFFAOYSA-N- Molecular formula
- C23H24ClNO2S
- Average molar mass
- 414 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chlorophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyridine-5-carboxylic acid 3-phenylpropyl ester
- IUPAC
- 3-phenylpropyl 4-(3-chlorophenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate
Names & synonyms
SCHEMBL4505519WYRDQOXFDJLGEL-UHFFFAOYSA-N4-(3-chlorophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyridine-5-carboxylic acid 3-phenylpropyl ester
Database identifiers
- PubChem CID
- 69070905
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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