Basic information
- Standard SMILES
CCOc1cc(CN2CCC(NC(=O)c3cc(OC)cc(C(=O)OC)c3)CC2)cc(OCC)c1-c1ccc(F)cc1- InChIKey
MLHVITMSDPFHEN-UHFFFAOYSA-N- Molecular formula
- C32H37FN2O6
- Average molar mass
- 564.6 g/mol
- Monoisotopic mass
- 564.26356507
Names & identifiers
- Preferred name
- N-[1-(2,6-Diethoxy-4'-fluoro-biphenyl-4-ylmethyl)-piperidin-4-yl]-5-methoxy-isophthalamic acid methyl ester
- IUPAC
- methyl 3-[[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]carbamoyl]-5-methoxybenzoate
Names & synonyms
SCHEMBL2957855MLHVITMSDPFHEN-UHFFFAOYSA-NN-[1-(2,6-Diethoxy-4'-fluoro-biphenyl-4-ylmethyl)-piperidin-4-yl]-5-methoxy-isophthalamic acid methyl ester
Database identifiers
- PubChem CID
- 68456944
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 800
Related reactions
2 records
Compound notes
Loading…