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175543-15-4 | Propanedinitrile, 2-[[4-chloro-2-(diphenylamino)-5-thiazolyl]methylene]-
CAS No: 175543-15-4 Catalog No: AG002114 MDL No:
Product Description
Catalog Number:
AG002114
Chemical Name:
Propanedinitrile, 2-[[4-chloro-2-(diphenylamino)-5-thiazolyl]methylene]-
CAS Number:
175543-15-4
Molecular Formula:
C19H11ClN4S
Molecular Weight:
362.8354
IUPAC Name:
2-[[4-chloro-2-(N-phenylanilino)-1,3-thiazol-5-yl]methylidene]propanedinitrile
InChI:
InChI=1S/C19H11ClN4S/c20-18-17(11-14(12-21)13-22)25-19(23-18)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11H
InChI Key:
IPMXWEZYBQMLGI-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1sc(nc1Cl)N(c1ccccc1)c1ccccc1)C#N
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.039g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.835g/mol
Monoisotopic Mass:
362.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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