3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid methyl ester

HCID 59190886
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Basic information

Standard SMILES
COC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(C#N)cc2)c1
InChIKey
HSEOVRZDUXVMBC-UHFFFAOYSA-N
Molecular formula
C24H21N3O3
Average molar mass
399.4 g/mol
Monoisotopic mass
399.15829154

Names & identifiers

Preferred name
3-[1-Benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid methyl ester
IUPAC
methyl 3-[[benzyl-[(4-cyanophenyl)carbamoyl]amino]methyl]benzoate

Names & synonyms

SCHEMBL306859HSEOVRZDUXVMBC-UHFFFAOYSA-N3-[1-benzyl-3-(4-cyano-phenyl)-ureidomethyl]-benzoic acid methyl ester

Database identifiers

PubChem CID
59190886

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
82.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
30

Related reactions

4 records
New reaction record

Linked notes

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