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Home > Pyridines > 849513-58-2
849513-58-2 | N-[4-(2,4,6-TRIMETHYLPHENYL)-2-THIAZOLYL]-4-PYRIDINECARBOXAMIDE
CAS No: 849513-58-2 Catalog No: AG003SMX MDL No:MFCD04599907
Product Description
Catalog Number:
AG003SMX
Chemical Name:
N-[4-(2,4,6-TRIMETHYLPHENYL)-2-THIAZOLYL]-4-PYRIDINECARBOXAMIDE
CAS Number:
849513-58-2
Molecular Formula:
C18H17N3OS
Molecular Weight:
323.4121
MDL Number:
MFCD04599907
IUPAC Name:
N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
InChI:
InChI=1S/C18H17N3OS/c1-11-8-12(2)16(13(3)9-11)15-10-23-18(20-15)21-17(22)14-4-6-19-7-5-14/h4-10H,1-3H3,(H,20,21,22)
InChI Key:
RFUKJHFXBGDHNJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)c1csc(n1)NC(=O)c1ccncc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.414g/mol
Monoisotopic Mass:
323.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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