Basic information
- Standard SMILES
C=CCSCC1=CC(C)(C)Nc2ccc(-c3ccc(OC)c(OC)c3)cc21- InChIKey
FPBHIFYSLAPNSC-UHFFFAOYSA-N- Molecular formula
- C23H27NO2S
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.17625028
Names & identifiers
- Preferred name
- 4-Allylsulfanylmethyl-6-(3,4-dimethoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
- IUPAC
- 6-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-(prop-2-enylsulfanylmethyl)-1H-quinoline
Names & synonyms
SCHEMBL4704354FPBHIFYSLAPNSC-UHFFFAOYSA-N4-Allylsulfanylmethyl-6-(3,4-dimethoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
Database identifiers
- PubChem CID
- 10249290
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
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