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139298-36-5 | Acetic acid, 2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-, 2-[1-(4-methylphenyl)ethylidene]hydrazide
CAS No: 139298-36-5 Catalog No: AG001APN MDL No:
Product Description
Catalog Number:
AG001APN
Chemical Name:
Acetic acid, 2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-, 2-[1-(4-methylphenyl)ethylidene]hydrazide
CAS Number:
139298-36-5
Molecular Formula:
C21H19N3O3S2
Molecular Weight:
425.5239
IUPAC Name:
N-[1-(4-methylphenyl)ethylideneamino]-2-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
InChI:
InChI=1S/C21H19N3O3S2/c1-13-3-7-16(8-4-13)14(2)23-24-19(25)12-27-17-9-5-15(6-10-17)11-18-20(26)22-21(28)29-18/h3-11H,12H2,1-2H3,(H,24,25)(H,22,26,28)
InChI Key:
VZXNRBMIDYTLFN-UHFFFAOYSA-N
SMILES:
O=C(NN=C(c1ccc(cc1)C)C)COc1ccc(cc1)C=C1SC(=S)NC1=O
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.087g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.521g/mol
Monoisotopic Mass:
425.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.3
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