2-[2-Chloro-4-[[3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
665017-89-0- Standard SMILES
COc1cc(C=C2SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Cl)c1OCC(=O)O- InChIKey
OQCKHVYOYVNXNK-UHFFFAOYSA-N- Molecular formula
- C23H21ClN2O7S
- Average molar mass
- 504.9 g/mol
- Monoisotopic mass
- 504.0757999
Names & identifiers
- Preferred name
- 2-[2-Chloro-4-[[3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid
- IUPAC
- 2-[2-chloro-4-[[3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid
- English name
- [2-chloro-4-({3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetic acid
- Molecular formula
- C23H21ClN2O7S
- Molecular weight
- 504.94
Names & synonyms
{2-chloro-4-[(E)-{3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]-6-methoxyphenoxy}acetic acid[2-chloro-4-({3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetic acidAcetic acid, 2-[2-chloro-4-[[3-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-6-methoxyphenoxy]-{2-chloro-4-[(E)-(3-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}acetic acid
Database identifiers
- CAS
665017-89-0- PubChem CID
- 1229530
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 828
Physicochemical properties
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- pka
- 3.01 · 3.01±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…