Basic information
- Standard SMILES
O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1- InChIKey
GMLXCTFNJSAZAT-UHFFFAOYSA-N- Molecular formula
- C28H23Cl2N3O3
- Average molar mass
- 520.4 g/mol
Names & identifiers
- Preferred name
- 3-(5-(5-Chloro-2-(((4'-chloro-[1,1'-biphenyl]-4-yl)amino)methyl)phenyl)picolinamido)propanoic acid
- IUPAC
- 3-[[5-[5-chloro-2-[[4-(4-chlorophenyl)anilino]methyl]phenyl]pyridine-2-carbonyl]amino]propanoic acid
Names & synonyms
CHEMBL3675802SCHEMBL14055233GMLXCTFNJSAZAT-UHFFFAOYSA-NBDBM123521US8748624, 63-(5-(5-chloro-2-(((4'-chloro-[1,1'-biphenyl]-4-yl)amino)methyl)phenyl)picolinamido)propanoic acid
Database identifiers
- PubChem CID
- 71060070
- ChEMBL
CHEMBL3675802
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 710
Related reactions
1 records
Compound notes
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