200,000+ products from a single source!
sales@angenechem.com
85169-12-6 | ethyl 4-[4-(bis(2-acetyloxyethyl)amino)-2-(propanoylamino)phenyl]diazenyl-5-cyano-2-hydroxy-benzoate
CAS No: 85169-12-6 Catalog No: AG004QOJ MDL No:
Product Description
Catalog Number:
AG004QOJ
Chemical Name:
ethyl 4-[4-(bis(2-acetyloxyethyl)amino)-2-(propanoylamino)phenyl]diazenyl-5-cyano-2-hydroxy-benzoate
CAS Number:
85169-12-6
Molecular Formula:
C27H31N5O8
Molecular Weight:
553.5637
IUPAC Name:
ethyl 4-[[4-[bis(2-acetyloxyethyl)amino]-2-(propanoylamino)phenyl]diazenyl]-5-cyano-2-hydroxybenzoate
InChI:
InChI=1S/C27H31N5O8/c1-5-26(36)29-24-14-20(32(9-11-39-17(3)33)10-12-40-18(4)34)7-8-22(24)30-31-23-15-25(35)21(13-19(23)16-28)27(37)38-6-2/h7-8,13-15,35H,5-6,9-12H2,1-4H3,(H,29,36)
InChI Key:
RZVOOHWHJIPSJP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C#N)c(cc1O)N=Nc1ccc(cc1NC(=O)CC)N(CCOC(=O)C)CCOC(=O)C
EC Number:
285-956-9
Properties
Complexity:
931
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.217g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
553.572g/mol
Monoisotopic Mass:
553.217g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.