Basic information
- Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4ccc(F)c(F)c4)C3)CC2)cc1- InChIKey
OMSOWWXFIJABPS-UHFFFAOYSA-N- Molecular formula
- C26H22ClF2N3O4
- Average molar mass
- 513.9 g/mol
- Monoisotopic mass
- 513.1266902
Names & identifiers
- Preferred name
- Methyl 4-(1-(5-chloro-2-(3-(3,4-difluorophenoxy)azetidin-1-yl)nicotinamido)cyclopropyl)benzoate
- IUPAC
- methyl 4-[1-[[5-chloro-2-[3-(3,4-difluorophenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoate
Names & synonyms
SCHEMBL9901802OMSOWWXFIJABPS-UHFFFAOYSA-Nmethyl 4-(1-(5-chloro-2-(3-(3,4-difluorophenoxy)azetidin-1-yl)nicotinamido)cyclopropyl)benzoate
Database identifiers
- PubChem CID
- 67958829
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 804
Related reactions
1 records
Compound notes
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