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78526-84-8 | 4-[2-[2-[1-[2-(2-Hydroxyethoxy)ethyl]-4-oxo-3-phenyl-2-thioxoimidazolidin-5-ylidene]ethylidene]-2,3-dihydrobenzoxazol-3-yl]butane-1-sulfonic acid
CAS No: 78526-84-8 Catalog No: AG00GEQY MDL No:
Product Description
Catalog Number:
AG00GEQY
Chemical Name:
4-[2-[2-[1-[2-(2-Hydroxyethoxy)ethyl]-4-oxo-3-phenyl-2-thioxoimidazolidin-5-ylidene]ethylidene]-2,3-dihydrobenzoxazol-3-yl]butane-1-sulfonic acid
CAS Number:
78526-84-8
IUPAC Name:
4-[(2Z)-2-[(2Z)-2-[3-[2-(2-hydroxyethoxy)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonic acid
InChI:
InChI=1S/C26H29N3O7S2/c30-16-18-35-17-15-28-22(25(31)29(26(28)37)20-8-2-1-3-9-20)12-13-24-27(14-6-7-19-38(32,33)34)21-10-4-5-11-23(21)36-24/h1-5,8-13,30H,6-7,14-19H2,(H,32,33,34)/b22-12-,24-13-
InChI Key:
DCOHTUFAYZNERS-DOMGQPEZSA-N
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
559.145g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
559.652g/mol
Monoisotopic Mass:
559.145g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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