4-[2-Benzoylamino-3-(4-methoxy-phenyl)-acryloyl]-piperazine-1-carboxylic acid ethyl ester

Base Information

• Chemical Name: 4-[2-Benzoylamino-3-(4-methoxy-phenyl)-acryloyl]-piperazine-1-carboxylic acid ethyl ester
• CAS No.: 5903-92-4
• Molecular Formula: C24H27N3O5
• Molecular Weight: 437.4883
• DSSTox Substance ID: DTXSID40417219
• Wikidata: Q82226971
• ChEMBL ID: CHEMBL1484109
• Mol file: 5903-92-4.mol

Synonyms:5903-92-4;4-[2-Benzoylamino-3-(4-methoxy-phenyl)-acryloyl]-piperazine-1-carboxylic acid ethyl ester;ethyl 4-[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate;SMR000176664;MLS000558695;MLS002537594;CHEMBL1484109;DTXSID40417219;HMS2354D14;AKOS000511536;BIM-0036350.P001

Chemical Property of 4-[2-Benzoylamino-3-(4-methoxy-phenyl)-acryloyl]-piperazine-1-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 1.17E-19mmHg at 25°C
• Boiling Point: 703.8°C at 760 mmHg
• Flash Point: 379.5°C
• Density: 1.245g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 437.19507097
• Heavy Atom Count: 32
• Complexity: 673

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3
• Isomeric SMILES: CCOC(=O)N1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OC)/NC(=O)C3=CC=CC=C3