(R)-4-(3-(3-(2-(1-Hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid
Basic information
- CAS
84040-56-2- Standard SMILES
O=C(O)c1ccc(CCC[C@H]2SCC(=O)N2CCC2(O)CCCCC2)cc1- InChIKey
BCZCFHAXZSPKAV-LJQANCHMSA-N- Molecular formula
- C21H29NO4S
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.18172958
Names & identifiers
- Preferred name
- (R)-4-(3-(3-(2-(1-Hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid
- IUPAC
- 4-[3-[(2R)-3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid
Names & synonyms
YAP20R43KHUNII-YAP20R43KHL-644122, (R)-(R)-4-(3-(3-(2-(1-Hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acid84040-56-2(+)-(R)-4-(3-(3-(2-(1-Hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)benzoic acidBenzoic acid, 4-(3-(3-(2-(1-hydroxycyclohexyl)ethyl)-4-oxo-2-thiazolidinyl)propyl)-, (R)-L-644122CHEMBL324742
Database identifiers
- CAS
84040-56-2- PubChem CID
- 6917895
- ChEMBL
CHEMBL324742- UNII
- YAP20R43KH
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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