200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 83495-08-3
83495-08-3 | Benzoic acid,4-[[1,5-dihydro-1-(2-methoxy-4-nitrophenyl)-5-oxo-2-phenyl-4H-imidazol-4-ylidene]methyl]-2-methoxy-,methyl ester
CAS No: 83495-08-3 Catalog No: AG005923 MDL No:
Product Description
Catalog Number:
AG005923
Chemical Name:
Benzoic acid,4-[[1,5-dihydro-1-(2-methoxy-4-nitrophenyl)-5-oxo-2-phenyl-4H-imidazol-4-ylidene]methyl]-2-methoxy-,methyl ester
CAS Number:
83495-08-3
Molecular Formula:
C26H21N3O7
Molecular Weight:
487.4608
IUPAC Name:
methyl 2-methoxy-4-[(E)-[1-(2-methoxy-4-nitrophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]benzoate
InChI:
InChI=1S/C26H21N3O7/c1-34-22-14-16(9-11-19(22)26(31)36-3)13-20-25(30)28(24(27-20)17-7-5-4-6-8-17)21-12-10-18(29(32)33)15-23(21)35-2/h4-15H,1-3H3/b20-13+
InChI Key:
SNZWKPASWSCROZ-DEDYPNTBSA-N
SMILES:
COc1cc(ccc1N1C(=O)/C(=C\c2ccc(c(c2)OC)C(=O)OC)/N=C1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
893
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
487.138g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
487.468g/mol
Monoisotopic Mass:
487.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
© 2019 Angene International Limited. All rights Reserved.