2-[[2-(4-Methylphenyl)ethanethioyl]amino]-3-phenylpropanoic acid

HCID 22748723
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(CC(=S)NC(Cc2ccccc2)C(=O)O)cc1
InChIKey
OIWLGOMUNOCICZ-UHFFFAOYSA-N
Molecular formula
C18H19NO2S
Average molar mass
313.4 g/mol
Monoisotopic mass
313.11365002

Names & identifiers

Preferred name
2-[[2-(4-Methylphenyl)ethanethioyl]amino]-3-phenylpropanoic acid
IUPAC
2-[[2-(4-methylphenyl)ethanethioyl]amino]-3-phenylpropanoic acid

Names & synonyms

SCHEMBL11569985

Database identifiers

PubChem CID
22748723

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
81.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
22

Related reactions

1 records
New reaction record

Linked notes

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