4-[[3-[(4-chlorophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[[3-[(4-chlorophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
• CAS No.: 6048-57-3
• Molecular Formula: C20H21ClN2O4S
• Molecular Weight: 420.9097
• DSSTox Substance ID: DTXSID00359949
• Wikidata: Q82141400

Synonyms:6048-57-3;4-[[3-[(4-chlorophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid;AG-667/37281053;CBMicro_042268;Oprea1_681521;DTXSID00359949;AKOS024276292;BIM-0042505.P001;4-({3-[(4-chloroanilino)carbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl}amino)-4-oxobutanoic acid

Chemical Property of 4-[[3-[(4-chlorophenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 5.04E-17mmHg at 25°C
• Boiling Point: 635.5°C at 760 mmHg
• Flash Point: 338.2°C
• Density: 1.426g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 420.0910560
• Heavy Atom Count: 28
• Complexity: 583

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=C(C=C3)Cl)NC(=O)CCC(=O)O

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