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89080-20-6 | PROPANENITRILE, 3,3'-[[4-[(E)-[5-(4-METHYLPHENYL)-2-OXO-3(2H)-FURANYLIDENE]METHYL]PHENYL]IMINO]BIS-
CAS No: 89080-20-6 Catalog No: AG00406M MDL No:
Product Description
Catalog Number:
AG00406M
Chemical Name:
PROPANENITRILE, 3,3'-[[4-[(E)-[5-(4-METHYLPHENYL)-2-OXO-3(2H)-FURANYLIDENE]METHYL]PHENYL]IMINO]BIS-
CAS Number:
89080-20-6
Molecular Formula:
C24H21N3O2
Molecular Weight:
383.4424
IUPAC Name:
3-[N-(2-cyanoethyl)-4-[[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile
InChI:
InChI=1S/C24H21N3O2/c1-18-4-8-20(9-5-18)23-17-21(24(28)29-23)16-19-6-10-22(11-7-19)27(14-2-12-25)15-3-13-26/h4-11,16-17H,2-3,14-15H2,1H3
InChI Key:
WYOFYCDFIQDSTK-UHFFFAOYSA-N
SMILES:
N#CCCN(c1ccc(cc1)/C=C/1\C=C(OC1=O)c1ccc(cc1)C)CCC#N
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.451g/mol
Monoisotopic Mass:
383.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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