3-[[4-[[2-[(4-Fluorophenyl)amino]-4-oxo-5(4H)-thiazolylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
Basic information
- CAS
886771-40-0- Standard SMILES
COc1cc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCc1cccc(C(=O)O)c1- InChIKey
ZDRLXSGQUPFQQK-UHFFFAOYSA-N- Molecular formula
- C25H19FN2O5S
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.09987105
Names & identifiers
- Preferred name
- 3-[[4-[[2-[(4-Fluorophenyl)amino]-4-oxo-5(4H)-thiazolylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
- IUPAC
- 3-[[4-[[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
Names & synonyms
DTXSID6011107793-[[4-[[2-[(4-Fluorophenyl)amino]-4-oxo-5(4H)-thiazolylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid886771-40-0
Database identifiers
- CAS
886771-40-0- PubChem CID
- 165367649
- DTXSID
DTXSID601110779
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 798
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…