Basic information
- Standard SMILES
CCOC(=O)c1ccc(CNC(=O)c2cc(Cl)cnc2N2CC(Oc3cccc(F)c3)C2)nc1- InChIKey
ZGQOKWDHDZDLAT-UHFFFAOYSA-N- Molecular formula
- C24H22ClFN4O4
- Average molar mass
- 484.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-((5-chloro-2-(3-(3-fluorophenoxy)azetidin-1-yl)nicotinamido)methyl)nicotinate
- IUPAC
- ethyl 6-[[[5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]methyl]pyridine-3-carboxylate
Names & synonyms
SCHEMBL9901377ZGQOKWDHDZDLAT-UHFFFAOYSA-Nethyl 6-((5-chloro-2-(3-(3-fluorophenoxy)azetidin-1-yl)nicotinamido)methyl)nicotinate
Database identifiers
- PubChem CID
- 67958672
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
1 records
Compound notes
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