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74101-30-7 | N-[5-(4-METHYLPHENYL)-2-(4-PHENYL-1,3-THIAZOL-2-YL)PYRAZOL-3-YL]ACETAMIDE
CAS No: 74101-30-7 Catalog No: AG005TTH MDL No:
Product Description
Catalog Number:
AG005TTH
Chemical Name:
N-[5-(4-METHYLPHENYL)-2-(4-PHENYL-1,3-THIAZOL-2-YL)PYRAZOL-3-YL]ACETAMIDE
CAS Number:
74101-30-7
Molecular Formula:
C21H18N4OS
Molecular Weight:
374.4588
IUPAC Name:
N-[5-(4-methylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
InChI:
InChI=1S/C21H18N4OS/c1-14-8-10-17(11-9-14)18-12-20(22-15(2)26)25(24-18)21-23-19(13-27-21)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,26)
InChI Key:
QZZOWEAVGQTUJD-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(nn1c1scc(n1)c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.12g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.462g/mol
Monoisotopic Mass:
374.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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