2-(Cyclohexylimino)-4-oxo-3-(p-tolyl)-5-thiazolidineacetic acid
Basic information
- CAS
39964-56-2- Standard SMILES
Cc1ccc(N2C(=O)C(CC(=O)O)SC2=NC2CCCCC2)cc1- InChIKey
PVLRUUBWPSHCLP-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.13511374
Names & identifiers
- Preferred name
- 2-(Cyclohexylimino)-4-oxo-3-(p-tolyl)-5-thiazolidineacetic acid
- IUPAC
- 2-[2-cyclohexylimino-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Names & synonyms
BRN 05733342-(Cyclohexylimino)-4-oxo-3-(p-tolyl)-5-thiazolidineacetic acid39964-56-25-Thiazolidineacetic acid, 2-(cyclohexylimino)-3-(4-methylphenyl)-4-oxo-5-Thiazolidineacetic acid, 2-(cyclohexylimino)-4-oxo-3-(p-tolyl)-
Database identifiers
- CAS
39964-56-2- PubChem CID
- 217973
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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