Methyl 4-(1-(5-chloro-2-(3-((4-fluorophenoxy)methyl)azetidin-1-yl)nicotinamido)cyclopropyl)benzoate

HCID 67958882
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Basic information

Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(COc4ccc(F)cc4)C3)CC2)cc1
InChIKey
ZDJAEQFUSBDBRS-UHFFFAOYSA-N
Molecular formula
C27H25ClFN3O4
Average molar mass
510 g/mol

Names & identifiers

Preferred name
Methyl 4-(1-(5-chloro-2-(3-((4-fluorophenoxy)methyl)azetidin-1-yl)nicotinamido)cyclopropyl)benzoate
IUPAC
methyl 4-[1-[[5-chloro-2-[3-[(4-fluorophenoxy)methyl]azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoate

Names & synonyms

SCHEMBL9902025ZDJAEQFUSBDBRS-UHFFFAOYSA-Nmethyl 4-(1-(5-chloro-2-(3-((4-fluorophenoxy)methyl)azetidin-1-yl)nicotinamido)cyclopropyl)benzoate

Database identifiers

PubChem CID
67958882

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
80.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
36

Related reactions

1 records
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Compound notes

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