Basic information
- Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCC(c4ccccc4)C3)CC2)cc1- InChIKey
LKVRLLGLMSAVSZ-UHFFFAOYSA-N- Molecular formula
- C27H26ClN3O3
- Average molar mass
- 476 g/mol
- Monoisotopic mass
- 475.1662694
Names & identifiers
- Preferred name
- Methyl 4-(1-(5-chloro-2-(3-phenylpyrrolidin-1-yl)nicotinamido)cyclopropyl)benzoate
- IUPAC
- methyl 4-[1-[[5-chloro-2-(3-phenylpyrrolidin-1-yl)pyridine-3-carbonyl]amino]cyclopropyl]benzoate
Names & synonyms
methyl 4-(1-(5-chloro-2-(3-phenylpyrrolidin-1-yl)nicotinamido)cyclopropyl)benzoate1380754-45-9SCHEMBL9901212LKVRLLGLMSAVSZ-UHFFFAOYSA-NDB-360752
Database identifiers
- PubChem CID
- 67958586
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 731
Related reactions
1 records
Compound notes
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