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924872-99-1 | 2-cyano-N-(2,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
CAS No: 924872-99-1 Catalog No: AG019PNA MDL No:MFCD08444263
Product Description
Catalog Number:
AG019PNA
Chemical Name:
2-cyano-N-(2,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
CAS Number:
924872-99-1
Molecular Formula:
C18H11Cl2N3O2S
Molecular Weight:
404.2698
MDL Number:
MFCD08444263
IUPAC Name:
2-cyano-N-(2,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
InChI:
InChI=1S/C18H11Cl2N3O2S/c19-11-6-7-15(14(20)8-11)22-17(25)13(9-21)18-23(16(24)10-26-18)12-4-2-1-3-5-12/h1-8H,10H2,(H,22,25)
InChI Key:
ISJOXNPFBGTERG-UHFFFAOYSA-N
SMILES:
N#CC(=C1SCC(=O)N1c1ccccc1)C(=O)Nc1ccc(cc1Cl)Cl
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.995g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.265g/mol
Monoisotopic Mass:
402.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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