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477858-62-1 | 1-(6-methylpyridin-2-yl)-N'-[(1Z)-(thiophen-2-yl)methylidene]-1H-imidazole-4-carbohydrazide
CAS No: 477858-62-1 Catalog No: AG00INIF MDL No:MFCD02081989
Product Description
Catalog Number:
AG00INIF
Chemical Name:
1-(6-methylpyridin-2-yl)-N'-[(1Z)-(thiophen-2-yl)methylidene]-1H-imidazole-4-carbohydrazide
CAS Number:
477858-62-1
Molecular Formula:
C15H13N5OS
Molecular Weight:
311.3616
MDL Number:
MFCD02081989
IUPAC Name:
1-(6-methylpyridin-2-yl)-N-(thiophen-2-ylmethylideneamino)imidazole-4-carboxamide
InChI:
InChI=1S/C15H13N5OS/c1-11-4-2-6-14(18-11)20-9-13(16-10-20)15(21)19-17-8-12-5-3-7-22-12/h2-10H,1H3,(H,19,21)
InChI Key:
ZFJCOPPLJPYJAV-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)n1cnc(c1)C(=O)N/N=C\c1cccs1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.363g/mol
Monoisotopic Mass:
311.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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