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137786-86-8 | 2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-
CAS No: 137786-86-8 Catalog No: AG007ZK8 MDL No:
Product Description
Catalog Number:
AG007ZK8
Chemical Name:
2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2-methyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-
CAS Number:
137786-86-8
Molecular Formula:
C21H21NO5S
Molecular Weight:
399.4601
IUPAC Name:
5-[[4-[(6-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C21H21NO5S/c1-21(9-8-14-11-15(23)4-7-17(14)27-21)12-26-16-5-2-13(3-6-16)10-18-19(24)22-20(25)28-18/h2-7,11,18,23H,8-10,12H2,1H3,(H,22,24,25)
InChI Key:
AMSJXOCWSLHWJC-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCc2c(O1)ccc(c2)O
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.114g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.461g/mol
Monoisotopic Mass:
399.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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