Basic information
- Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC[C@@H](Oc4cccc(F)c4)C3)CC2)cc1- InChIKey
RHTPUEQQGHBJPX-JOCHJYFZSA-N- Molecular formula
- C27H25ClFN3O4
- Average molar mass
- 510 g/mol
- Monoisotopic mass
- 509.1517621
Names & identifiers
- Preferred name
- (R)-methyl 4-(1-(5-chloro-2-(3-(3-fluorophenoxy)pyrrolidin-1-yl)nicotinamido)cyclopropyl)benzoate
- IUPAC
- methyl 4-[1-[[5-chloro-2-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoate
Names & synonyms
SCHEMBL9923526RHTPUEQQGHBJPX-JOCHJYFZSA-N(R)-methyl 4-(1-(5-chloro-2-(3-(3-fluorophenoxy)pyrrolidin-1-yl)nicotinamido)cyclopropyl)benzoate
Database identifiers
- PubChem CID
- 67966692
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 791
Related reactions
1 records
Compound notes
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