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478257-57-7 | N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1-(6-methylpyridin-2-yl)-1H-imidazole-4-carbohydrazide
CAS No: 478257-57-7 Catalog No: AG00ISER MDL No:MFCD01871724
Product Description
Catalog Number:
AG00ISER
Chemical Name:
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1-(6-methylpyridin-2-yl)-1H-imidazole-4-carbohydrazide
CAS Number:
478257-57-7
Molecular Formula:
C18H17N5O3
Molecular Weight:
351.3593
MDL Number:
MFCD01871724
IUPAC Name:
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methylpyridin-2-yl)imidazole-4-carboxamide
InChI:
InChI=1S/C18H17N5O3/c1-12-4-3-5-17(21-12)23-10-14(19-11-23)18(25)22-20-9-13-6-7-15(24)16(8-13)26-2/h3-11,24H,1-2H3,(H,22,25)
InChI Key:
JMASKBYZKHSYNU-UHFFFAOYSA-N
SMILES:
COc1cc(/C=N/NC(=O)c2ncn(c2)c2cccc(n2)C)ccc1O
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.133g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.366g/mol
Monoisotopic Mass:
351.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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