Basic information
- Standard SMILES
COC(=O)C1=C(c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)CCN(C(=O)OC(C)(C)C)C1- InChIKey
AAXDEOCOUHVLSP-UHFFFAOYSA-N- Molecular formula
- C27H26ClF2N3O6
- Average molar mass
- 562 g/mol
Names & identifiers
- Preferred name
- 6-[3-(2-Chloro-3,6-difluoro-phenyl)-isoxazol-5-ylmethoxy]-5',6'-dihydro-2'H-[3,4']bipyridinyl-1',3'-dicarboxylic Acid 1'-tert-butyl Ester 3'-methyl Ester
- IUPAC
- 1-O-tert-butyl 5-O-methyl 4-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
Names & synonyms
SCHEMBL1751972AAXDEOCOUHVLSP-UHFFFAOYSA-N6-[3-(2-Chloro-3,6-difluoro-phenyl)-isoxazol-5-ylmethoxy]-5',6'-dihydro-2'H-[3,4']bipyridinyl-1',3'-dicarboxylic Acid 1'-tert-butyl Ester 3'-methyl Ester
Database identifiers
- PubChem CID
- 67148902
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 918
Related reactions
2 records
Compound notes
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