Home Carboxys Ethyl 2-[[1-[(2-furanylcarbonyl)amino]-2-(4-methylphenyl)-2-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylate

Ethyl 2-[[1-[(2-furanylcarbonyl)amino]-2-(4-methylphenyl)-2-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylate

CAS No.:
373368-99-1
Catalog Number:
AG01F2LN
Molecular Formula:
C27H24N2O5S
Molecular Weight:
488.5549
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
95%
1 week
United States
$295
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Product Description
Catalog Number:
AG01F2LN
Chemical Name:
Ethyl 2-[[1-[(2-furanylcarbonyl)amino]-2-(4-methylphenyl)-2-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylate
CAS Number:
373368-99-1
Molecular Formula:
C27H24N2O5S
Molecular Weight:
488.5549
MDL Number:
MFCD01457673
IUPAC Name:
ethyl 2-[[1-(furan-2-carbonylamino)-2-(4-methylphenyl)-2-oxoethyl]amino]-4-phenylthiophene-3-carboxylate
InChI:
InChI=1S/C27H24N2O5S/c1-3-33-27(32)22-20(18-8-5-4-6-9-18)16-35-26(22)29-24(28-25(31)21-10-7-15-34-21)23(30)19-13-11-17(2)12-14-19/h4-16,24,29H,3H2,1-2H3,(H,28,31)
InChI Key:
GAMGBYHYXMVMEJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(scc1c1ccccc1)NC(C(=O)c1ccc(cc1)C)NC(=O)c1ccco1
Properties
Complexity:
735  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.141g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
488.558g/mol
Monoisotopic Mass:
488.141g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  
Literature
Title Journal
Diketo acid pharmacophore. 2. Discovery of structurally diverse inhibitors of HIV-1 integrase. Journal of medicinal chemistry 20051215
Properties