Basic information
- Standard SMILES
O=C1CCCc2c1ccc(O[C@H](Cn1ccnc1)c1ccccc1)c2CSCc1ccc(Cl)c(Cl)c1- InChIKey
WPVPORNOCLEBOB-GDLZYMKVSA-N- Molecular formula
- C29H26Cl2N2O2S
- Average molar mass
- 537.5 g/mol
- Monoisotopic mass
- 536.1092046
Names & identifiers
- Preferred name
- 5-(3,4-Dichloro-benzylsulfanylmethyl)-6-((1S)-2-imidazol-1-yl-1-phenyl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one
- IUPAC
- 5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-6-[(1S)-2-imidazol-1-yl-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
SCHEMBL6302073WPVPORNOCLEBOB-GDLZYMKVSA-N5-(3,4-Dichloro-benzylsulfanylmethyl)-6-((1S)-2-imidazol-1-yl-1-phenyl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one
Database identifiers
- PubChem CID
- 69735788
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 709
Related reactions
2 records
Compound notes
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