Basic information
- Standard SMILES
CC(C)(C#N)C(O)(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1- InChIKey
GYYHMVVFRGBEDZ-UHFFFAOYSA-N- Molecular formula
- C27H24Cl2F2N2O
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.1233751
Names & identifiers
- Preferred name
- 3-{1-[Bis(4-chlorophenyl)methyl]azetidin-3-yl}-3-(3,5-difluorophenyl)-3-hydroxy-2,2-dimethylpropanenitrile
- IUPAC
- 3-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-3-(3,5-difluorophenyl)-3-hydroxy-2,2-dimethylpropanenitrile
Names & synonyms
SCHEMBL1528596GYYHMVVFRGBEDZ-UHFFFAOYSA-N3-{1-[Bis(4-chlorophenyl)methyl]azetidin-3-yl}-3-(3,5-difluorophenyl)-3-hydroxy-2,2-dimethylpropanenitrile
Database identifiers
- PubChem CID
- 67065873
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 706
Related reactions
6 records
Compound notes
Loading…