2'-Chloro-5'-(3-cyclohexyl-ureido)-biphenyl-4-carboxylic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2cc(NC(=O)NC3CCCCC3)ccc2Cl)cc1- InChIKey
AOUGERFARRQENL-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O3
- Average molar mass
- 400.9 g/mol
Names & identifiers
- Preferred name
- 2'-Chloro-5'-(3-cyclohexyl-ureido)-biphenyl-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]benzoate
Names & synonyms
SCHEMBL2354269AOUGERFARRQENL-UHFFFAOYSA-N2'-Chloro-5'-(3-cyclohexyl-ureido)-biphenyl-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67375485
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Compound notes
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