2-[(2,4-Dioxo-3-phenyl-1,3-thiazolidin-5-yl)-methylamino]benzoic acid
Basic information
- CAS
5840-58-4- Standard SMILES
CN(c1ccccc1C(=O)O)C1SC(=O)N(c2ccccc2)C1=O- InChIKey
LSAVZPWCPJRILR-UHFFFAOYSA-N- Molecular formula
- C17H14N2O4S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.06742811
Names & identifiers
- Preferred name
- 2-[(2,4-Dioxo-3-phenyl-1,3-thiazolidin-5-yl)-methylamino]benzoic acid
- IUPAC
- 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-methylamino]benzoic acid
Names & synonyms
5840-58-4CBMicro_0348002-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-methylamino]benzoic acid2-((2,4-Dioxo-3-phenylthiazolidin-5-yl)(methyl)amino)benzoic acid2-[(2,4-DIOXO-3-PHENYL-1,3-THIAZOLIDIN-5-YL)(METHYL)AMINO]BENZOIC ACIDOprea1_650762DTXSID00386770BIM-0034852.P001AB00098842-01SR-01000221561SR-01000221561-1
Database identifiers
- CAS
5840-58-4- PubChem CID
- 2872028
- DTXSID
DTXSID00386770
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 521
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Compound notes
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