Basic information
- Standard SMILES
COc1ccccc1-c1ccc2c(c1)C(CSCc1ccccc1)=CC(C)(C)N2- InChIKey
MMEYJCDBDLRVJV-UHFFFAOYSA-N- Molecular formula
- C26H27NOS
- Average molar mass
- 401.6 g/mol
Names & identifiers
- Preferred name
- 4-Benzylsulfanylmethyl-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
- IUPAC
- 4-(benzylsulfanylmethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
Names & synonyms
dihydroquinoline compound, 23CHEMBL204571SCHEMBL4704787BDBM18712MMEYJCDBDLRVJV-UHFFFAOYSA-N4-[(benzylsulfanyl)methyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline4-Benzylsulfanylmethyl-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
Database identifiers
- PubChem CID
- 10341012
- ChEMBL
CHEMBL204571
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Related reactions
1 records
Compound notes
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