200,000+ products from a single source!
sales@angenechem.com
97323-07-4 | 5-(4-(7-TERT-BUTYL-6-HYDROXY-2-METHYLCHROMAN-2-YLMETHOXY)BENZYL)THIAZOLID INE-2,4-DIONE
CAS No: 97323-07-4 Catalog No: AG005ZUS MDL No:
Product Description
Catalog Number:
AG005ZUS
Chemical Name:
5-(4-(7-TERT-BUTYL-6-HYDROXY-2-METHYLCHROMAN-2-YLMETHOXY)BENZYL)THIAZOLID INE-2,4-DIONE
CAS Number:
97323-07-4
Molecular Formula:
C25H29NO5S
Molecular Weight:
455.5665
IUPAC Name:
5-[[4-[(7-tert-butyl-6-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C25H29NO5S/c1-24(2,3)18-13-20-16(12-19(18)27)9-10-25(4,31-20)14-30-17-7-5-15(6-8-17)11-21-22(28)26-23(29)32-21/h5-8,12-13,21,27H,9-11,14H2,1-4H3,(H,26,28,29)
InChI Key:
KMCXNGXUURGATQ-UHFFFAOYSA-N
SMILES:
CC(c1cc2OC(C)(CCc2cc1O)COc1ccc(cc1)CC1SC(=O)NC1=O)(C)C
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.177g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
455.569g/mol
Monoisotopic Mass:
455.177g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.