4-[(3-Butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione

Base Information

• Chemical Name: 4-[(3-Butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione
• CAS No.: 7018-25-9
• Molecular Formula: C16H13 N
• Molecular Weight: 520.5471
• DSSTox Substance ID: DTXSID30990420
• Mol file: 7018-25-9.mol

Synonyms:7018-25-9;DTXSID30990420;4-[(3-Butoxyphenyl)(hydroxy)methylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione

Chemical Property of 4-[(3-Butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione

Chemical Property:

• Vapor Pressure: 1.41E-18mmHg at 25°C
• Boiling Point: 664.7°C at 760 mmHg
• PKA: 7.12±0.20(Predicted)
• Flash Point: 355.8°C
• PSA: 12.36000
• Density: 1.412g/cm³
• LogP: 2.72770
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 520.12683468
• Heavy Atom Count: 37
• Complexity: 888

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC=CC=C5F)O