Basic information
- CAS
508178-49-2- Standard SMILES
C=CCN1C(=O)C(CC(=O)O)SC1=Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
BXJXSDDSKGCEDO-UHFFFAOYSA-N- Molecular formula
- C20H18N4O3S
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.10996162
Names & identifiers
- Preferred name
- 5-Thiazolidineacetic acid, 4-oxo-2-[[4-(2-phenyldiazenyl)phenyl]imino]-3-(2-propen-1-yl)-
- IUPAC
- 2-[4-oxo-2-(4-phenyldiazenylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid
Names & synonyms
CHEMBL3304336DTXSID401037834AKOS002168839AKOS0162939465-Thiazolidineacetic acid, 4-oxo-2-[[4-(2-phenyldiazenyl)phenyl]imino]-3-(2-propen-1-yl)-508178-49-2ST500464922-(4-oxo-2-{[4-(phenyldiazenyl)phenyl]azamethylene}-3-prop-2-enyl-1,3-thiazoli din-5-yl)acetic acid
Database identifiers
- CAS
508178-49-2- PubChem CID
- 4069239
- DTXSID
DTXSID401037834- ChEMBL
CHEMBL3304336
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…