Basic information
- Standard SMILES
O=c1[nH]c2ccc(C3CCC(NCCCc4ccc(F)c(F)c4)CC3)cc2o1- InChIKey
IPGQPTNDKSVUHL-UHFFFAOYSA-N- Molecular formula
- C22H24F2N2O2
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 6-(trans-4-[3-(3,4-difluorophenyl)-propylamino]cyclohexyl}-3H-benzoxazol-2-one
- IUPAC
- 6-[4-[3-(3,4-difluorophenyl)propylamino]cyclohexyl]-3H-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL6192385IPGQPTNDKSVUHL-JCNLHEQBSA-N6-(trans-4-[3-(3,4-difluorophenyl)-propylamino]cyclohexyl}-3H-benzoxazol-2-one6-(trans-4-[3-(3,4-difluorophenyl)propylamino]-cyclohexyl}-3H-benzoxazol-2-one
Database identifiers
- PubChem CID
- 22669078
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
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