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83743-05-9 | 3-Thiophenecarbonitrile,2-[2-[4-[bis[2-(acetyloxy)ethyl]amino]phenyl]diazenyl]-5-(2-phenyldiazenyl)-
CAS No: 83743-05-9 Catalog No: AG004SQY MDL No:
Product Description
Catalog Number:
AG004SQY
Chemical Name:
3-Thiophenecarbonitrile,2-[2-[4-[bis[2-(acetyloxy)ethyl]amino]phenyl]diazenyl]-5-(2-phenyldiazenyl)-
CAS Number:
83743-05-9
Molecular Formula:
C25H24N6O4S
Molecular Weight:
504.5609
IUPAC Name:
2-[N-(2-acetyloxyethyl)-4-[(3-cyano-5-phenyldiazenylthiophen-2-yl)diazenyl]anilino]ethyl acetate
InChI:
InChI=1S/C25H24N6O4S/c1-18(32)34-14-12-31(13-15-35-19(2)33)23-10-8-22(9-11-23)28-30-25-20(17-26)16-24(36-25)29-27-21-6-4-3-5-7-21/h3-11,16H,12-15H2,1-2H3
InChI Key:
HOVCXNYTPVRTGQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(sc1N=Nc1ccc(cc1)N(CCOC(=O)C)CCOC(=O)C)N=Nc1ccccc1
EC Number:
280-684-7
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.158g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.565g/mol
Monoisotopic Mass:
504.158g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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