Basic information
- Standard SMILES
COc1ccc(-c2ccc3c(c2)C(CSCCc2ccccc2)=CC(C)(C)N3)cc1- InChIKey
OBQQRXZBPCUTIR-UHFFFAOYSA-N- Molecular formula
- C27H29NOS
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.19698572
Names & identifiers
- Preferred name
- 6-(4-Methoxyphenyl)-2,2-dimethyl-4-phenethylsulfanylmethyl-1,2-dihydroquinoline
- IUPAC
- 6-(4-methoxyphenyl)-2,2-dimethyl-4-(2-phenylethylsulfanylmethyl)-1H-quinoline
Names & synonyms
SCHEMBL4702879OBQQRXZBPCUTIR-UHFFFAOYSA-N6-(4-Methoxyphenyl)-2,2-dimethyl-4-phenethylsulfanylmethyl-1,2-dihydroquinoline
Database identifiers
- PubChem CID
- 10409609
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 559
Related reactions
1 records
Compound notes
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