Home Carbonyls 4-(2-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-2-{[4-(ethoxycarbonyl)-phenyl]carbamoyl}acetamido)benzoate

4-(2-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-2-{[4-(ethoxycarbonyl)-phenyl]carbamoyl}acetamido)benzoate

CAS No.:
373613-93-5
Catalog Number:
AG01F2LO
Molecular Formula:
C32H27ClN2O7
Molecular Weight:
587.0190
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
99%
1 week
United States
$177
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Product Description
Catalog Number:
AG01F2LO
Chemical Name:
4-(2-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-2-{[4-(ethoxycarbonyl)-phenyl]carbamoyl}acetamido)benzoate
CAS Number:
373613-93-5
Molecular Formula:
C32H27ClN2O7
Molecular Weight:
587.0190
MDL Number:
MFCD01948224
IUPAC Name:
ethyl 4-[[3-[5-(4-chlorophenyl)furan-2-yl]-2-[(4-ethoxycarbonylphenyl)carbamoyl]prop-2-enoyl]amino]benzoate
InChI:
InChI=1S/C32H27ClN2O7/c1-3-40-31(38)21-7-13-24(14-8-21)34-29(36)27(19-26-17-18-28(42-26)20-5-11-23(33)12-6-20)30(37)35-25-15-9-22(10-16-25)32(39)41-4-2/h5-19H,3-4H2,1-2H3,(H,34,36)(H,35,37)
InChI Key:
YMCGRVYGVPJBQX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1ccc(cc1)Cl)C(=O)Nc1ccc(cc1)C(=O)OCC
Properties
Complexity:
910  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.151g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
587.025g/mol
Monoisotopic Mass:
586.151g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  
Properties