Basic information
- Standard SMILES
Nc1c(Cl)cc(C(O)CNCCCCOCCSCCc2ccccc2)cc1Cl- InChIKey
YWQPBOZUNABGAL-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N2O2S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 456.1405048
Names & identifiers
- Preferred name
- 4-Amino-3,5-dichloro-alpha-[[[4-[2-[(2-phenylethyl)thio]ethoxy]butyl]amino]methyl]benzenemethanol
- IUPAC
- 1-(4-amino-3,5-dichlorophenyl)-2-[4-[2-(2-phenylethylsulfanyl)ethoxy]butylamino]ethanol
Names & synonyms
SCHEMBL10390454YWQPBOZUNABGAL-UHFFFAOYSA-N4-Amino-3,5-dichloro-alpha-[[[4-[2-[(2-phenylethyl)thio]ethoxy]butyl]amino]methyl]benzenemethanol
Database identifiers
- PubChem CID
- 23045313
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 404
Related reactions
2 records
Compound notes
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