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596799-21-2 | Benzoic acid, 2-(5-phenyl-2-oxazolyl)-, [[3-[(2-benzoxazolylthio)methyl]-4-methoxyphenyl]methylene]hydrazide (9CI)
CAS No: 596799-21-2 Catalog No: AG00EOPF MDL No:
Product Description
Catalog Number:
AG00EOPF
Chemical Name:
Benzoic acid, 2-(5-phenyl-2-oxazolyl)-, [[3-[(2-benzoxazolylthio)methyl]-4-methoxyphenyl]methylene]hydrazide (9CI)
CAS Number:
596799-21-2
IUPAC Name:
N-[(Z)-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
InChI:
InChI=1S/C32H24N4O4S/c1-38-27-16-15-21(17-23(27)20-41-32-35-26-13-7-8-14-28(26)40-32)18-34-36-30(37)24-11-5-6-12-25(24)31-33-19-29(39-31)22-9-3-2-4-10-22/h2-19H,20H2,1H3,(H,36,37)/b34-18-
InChI Key:
LGEDYURQRVDBID-HQDYHJHZSA-N
Properties
Complexity:
873
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
560.152g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
560.628g/mol
Monoisotopic Mass:
560.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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