2-(Cyclohexylimino)-3-(4-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid
Basic information
- CAS
39964-59-5- Standard SMILES
COc1ccc(N2C(=O)C(CC(=O)O)SC2=NC2CCCCC2)cc1- InChIKey
XSVCNYJGMXUJIS-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.13002836
Names & identifiers
- Preferred name
- 2-(Cyclohexylimino)-3-(4-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid
- IUPAC
- 2-[2-cyclohexylimino-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Names & synonyms
BRN 057922139964-59-52-(Cyclohexylimino)-3-(4-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid5-Thiazolidineacetic acid, 2-(cyclohexylimino)-3-(4-methoxyphenyl)-4-oxo-
Database identifiers
- CAS
39964-59-5- PubChem CID
- 217976
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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