200,000+ products from a single source!
sales@angenechem.com
139298-37-6 | Acetic acid, 2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-, 2-[1-(4-methoxyphenyl)ethylidene]hydrazide
CAS No: 139298-37-6 Catalog No: AG001APM MDL No:
Product Description
Catalog Number:
AG001APM
Chemical Name:
Acetic acid, 2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-, 2-[1-(4-methoxyphenyl)ethylidene]hydrazide
CAS Number:
139298-37-6
Molecular Formula:
C21H19N3O4S2
Molecular Weight:
441.5233
IUPAC Name:
N-[1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
InChI:
InChI=1S/C21H19N3O4S2/c1-13(15-5-9-16(27-2)10-6-15)23-24-19(25)12-28-17-7-3-14(4-8-17)11-18-20(26)22-21(29)30-18/h3-11H,12H2,1-2H3,(H,24,25)(H,22,26,29)
InChI Key:
GXWPKSLBMHZUAE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=NNC(=O)COc1ccc(cc1)C=C1SC(=S)NC1=O)C
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.082g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.52g/mol
Monoisotopic Mass:
441.082g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.