Home Halogens 4-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-4-oxobutanoic acid

4-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-4-oxobutanoic acid

CAS No.:
676995-91-8
Catalog Number:
AG01CL8N
Molecular Formula:
C15H13ClN2O4S
Molecular Weight:
352.7927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
1 week
United States
$89
- +
50mg
1 week
United States
$194
- +
Product Description
Catalog Number:
AG01CL8N
Chemical Name:
4-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-4-oxobutanoic acid
CAS Number:
676995-91-8
Molecular Formula:
C15H13ClN2O4S
Molecular Weight:
352.7927
MDL Number:
MFCD00206493
IUPAC Name:
4-[[2-carbamoyl-5-(4-chlorophenyl)thiophen-3-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C15H13ClN2O4S/c16-9-3-1-8(2-4-9)11-7-10(14(23-11)15(17)22)18-12(19)5-6-13(20)21/h1-4,7H,5-6H2,(H2,17,22)(H,18,19)(H,20,21)
InChI Key:
AKEGBXSYBBSAOX-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(sc1C(=O)N)c1ccc(cc1)Cl)CCC(=O)O
Properties
Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.028g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
352.789g/mol
Monoisotopic Mass:
352.028g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties