3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid
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Basic information
- Standard SMILES
N#Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2cccc(C(=O)O)c2)cc1- InChIKey
MGMRTRBUQHEHNS-UHFFFAOYSA-N- Molecular formula
- C23H19N3O3
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.14264148
Names & identifiers
- Preferred name
- 3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid
- IUPAC
- 3-[[benzyl-[(4-cyanophenyl)carbamoyl]amino]methyl]benzoic acid
Names & synonyms
SCHEMBL308077MGMRTRBUQHEHNS-UHFFFAOYSA-N3-[1-benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid
Database identifiers
- PubChem CID
- 59190865
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 600
Related reactions
2 records
Compound notes
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