Basic information
- Standard SMILES
CCOC(=O)CCNC(=O)c1ccc(-c2cc(C)ccc2C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cn1- InChIKey
JIKOXCYGHAXDGP-UHFFFAOYSA-N- Molecular formula
- C31H28ClN3O4
- Average molar mass
- 542 g/mol
- Monoisotopic mass
- 541.1768341
Names & identifiers
- Preferred name
- Ethyl 3-(5-(2-((4'-chloro-[1,1'-biphenyl]-4-yl)carbamoyl)-5-methylphenyl)picolinamido)propanoate
- IUPAC
- ethyl 3-[[5-[2-[[4-(4-chlorophenyl)phenyl]carbamoyl]-5-methylphenyl]pyridine-2-carbonyl]amino]propanoate
Names & synonyms
SCHEMBL14055294JIKOXCYGHAXDGP-UHFFFAOYSA-Nethyl 3-(5-(2-((4'-chloro-[1,1'-biphenyl]-4-yl)carbamoyl)-5-methylphenyl)picolinamido)propanoate
Database identifiers
- PubChem CID
- 71060074
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 810
Related reactions
2 records
Compound notes
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