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84470-40-6 | N-(4-chlorophenyl)-2-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CAS No: 84470-40-6 Catalog No: AG004S2V MDL No:
Product Description
Catalog Number:
AG004S2V
Chemical Name:
N-(4-chlorophenyl)-2-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CAS Number:
84470-40-6
Molecular Formula:
C18H14Cl2N4O2S
Molecular Weight:
421.3004
IUPAC Name:
N-(4-chlorophenyl)-2-[2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
InChI:
InChI=1S/C18H14Cl2N4O2S/c19-12-3-1-11(2-4-12)10-21-24-18-23-17(26)15(27-18)9-16(25)22-14-7-5-13(20)6-8-14/h1-8,10,15H,9H2,(H,22,25)(H,23,24,26)
InChI Key:
YLQIHKSQCIMTBN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=NNC1=NC(=O)C(S1)CC(=O)Nc1ccc(cc1)Cl
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.021g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.296g/mol
Monoisotopic Mass:
420.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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