6-[4-(4-Methoxyphenyl-mercapto)-butoxy]-3,4-dihydro-carbostyril
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Basic information
- Standard SMILES
COc1ccc(SCCCCOc2ccc3c(c2)CCC(=O)N3)cc1- InChIKey
DXHOFDQTMKDXFJ-UHFFFAOYSA-N- Molecular formula
- C20H23NO3S
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.13986477
Names & identifiers
- Preferred name
- 6-[4-(4-Methoxyphenyl-mercapto)-butoxy]-3,4-dihydro-carbostyril
- IUPAC
- 6-[4-(4-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
Names & synonyms
SCHEMBL11272715DXHOFDQTMKDXFJ-UHFFFAOYSA-N6-[4-(4-Methoxyphenyl-mercapto)-butoxy]-3,4-dihydro-carbostyril
Database identifiers
- PubChem CID
- 20540010
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 412
Related reactions
2 records
Compound notes
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