Home Carboxys Ethyl 2-{[1-(furan-2-ylformamido)-2-(4-methylphenyl)-2-oxoethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Ethyl 2-{[1-(furan-2-ylformamido)-2-(4-methylphenyl)-2-oxoethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS No.:
425652-31-9
Catalog Number:
AG01F2HQ
Molecular Formula:
C25H26N2O5S
Molecular Weight:
466.5493
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
95%
1 week
United States
$212
- +
Product Description
Catalog Number:
AG01F2HQ
Chemical Name:
Ethyl 2-{[1-(furan-2-ylformamido)-2-(4-methylphenyl)-2-oxoethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number:
425652-31-9
Molecular Formula:
C25H26N2O5S
Molecular Weight:
466.5493
MDL Number:
MFCD01457670
IUPAC Name:
ethyl 2-[[1-(furan-2-carbonylamino)-2-(4-methylphenyl)-2-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C25H26N2O5S/c1-3-31-25(30)20-17-7-4-5-9-19(17)33-24(20)27-22(26-23(29)18-8-6-14-32-18)21(28)16-12-10-15(2)11-13-16/h6,8,10-14,22,27H,3-5,7,9H2,1-2H3,(H,26,29)
InChI Key:
DBSBFZUIFRXAQZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(NC(C(=O)c2ccc(cc2)C)NC(=O)c2ccco2)sc2c1CCCC2
Properties
Complexity:
711  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.156g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
466.552g/mol
Monoisotopic Mass:
466.156g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Properties