Basic information
- Standard SMILES
CC1CC(Oc2cccc(NC(=O)c3c(F)cccc3Cl)n2)CCN1C(=O)OC(C)(C)C- InChIKey
ZIQKVSARMHKLMG-UHFFFAOYSA-N- Molecular formula
- C23H27ClFN3O4
- Average molar mass
- 463.9 g/mol
- Monoisotopic mass
- 463.1674122
Names & identifiers
- Preferred name
- 4-[6-(2-Chloro-6-fluoro-benzoylamino)-pyridin-2-yloxy]-2-methyl-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[6-[(2-chloro-6-fluorobenzoyl)amino]-2-pyridinyl]oxy]-2-methylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL4510037ZIQKVSARMHKLMG-UHFFFAOYSA-N4-[6-(2-Chloro-6-fluoro-benzoylamino)-pyridin-2-yloxy]-2-methyl-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69072945
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 662
Related reactions
2 records
Compound notes
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