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Basic information
- Standard SMILES
COCCCc1cc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCC(C)(C)C(=O)O)c1- InChIKey
OFZCBYXQFFZHMV-UHFFFAOYSA-N- Molecular formula
- C46H60Cl2N2O9
- Average molar mass
- 855.9 g/mol
- Monoisotopic mass
- 854.3675869
Names & identifiers
- IUPAC
- 4-[3-[[cyclopropyl-[4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]amino]methyl]-5-(3-methoxypropyl)phenoxy]-2,2-dimethylbutanoic acid
Database identifiers
- PubChem CID
- 77504977
Properties
Computed structural propertiesFilling in
- XLogP
- 9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 21
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
1 records
Compound notes
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