200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 161364-76-7
161364-76-7 | 3-Thiazolidinepropanamide, 2-[(2-methoxyphenoxy)methyl]-β-oxo-N-(3-pyridinylmethyl)-, (2E)-2-butenedioate (2:1)
CAS No: 161364-76-7 Catalog No: AG001SEN MDL No:
Product Description
Catalog Number:
AG001SEN
Chemical Name:
3-Thiazolidinepropanamide, 2-[(2-methoxyphenoxy)methyl]-β-oxo-N-(3-pyridinylmethyl)-, (2E)-2-butenedioate (2:1)
CAS Number:
161364-76-7
Molecular Formula:
C44H50N6O12S2
Molecular Weight:
919.0308
IUPAC Name:
butanedioic acid;3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide
InChI:
InChI=1S/2C20H23N3O4S.C4H6O4/c2*1-26-16-6-2-3-7-17(16)27-14-20-23(9-10-28-20)19(25)11-18(24)22-13-15-5-4-8-21-12-15;5-3(6)1-2-4(7)8/h2*2-8,12,20H,9-11,13-14H2,1H3,(H,22,24);1-2H2,(H,5,6)(H,7,8)
InChI Key:
CSIHCFMAQOSRMH-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(=O)O.COc1ccccc1OCC1SCCN1C(=O)CC(=O)NCc1cccnc1.COc1ccccc1OCC1SCCN1C(=O)CC(=O)NCc1cccnc1
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
920.308g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
921.05g/mol
Monoisotopic Mass:
920.308g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
287A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.