4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-

Base Information

• Chemical Name: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-
• CAS No.: 121608-39-7
• Molecular Formula: C27H20 Cl2 N4 O5 S
• Molecular Weight: 583.4425
• Wikidata: Q76389719
• Mol file: 121608-39-7.mol

Synonyms:1-(2,6-Dichlorophenyl)-3-(4-(morpholino)phenyl)-5-(m-nitrobenzylidene)thiobarbituric acid;4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-;121608-39-7;LS-135234

Chemical Property of 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-

Chemical Property:

• Vapor Pressure: 9.77E-22mmHg at 25°C
• Boiling Point: 739.5°Cat760mmHg
• Flash Point: 401°C
• Density: 1.58g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 582.0531463
• Heavy Atom Count: 39
• Complexity: 985

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C3=S)C5=C(C=CC=C5Cl)Cl
• Isomeric SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)N(C3=S)C5=C(C=CC=C5Cl)Cl