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Home > Pyridines > 1223877-09-5
1223877-09-5 | N-{1-[(4-methylphenyl)methyl]-1,2-dihydropyridin-2-ylidene}-1H-indazole-3-carboxamide
CAS No: 1223877-09-5 Catalog No: AG01EIIU MDL No:
Product Description
Catalog Number:
AG01EIIU
Chemical Name:
N-{1-[(4-methylphenyl)methyl]-1,2-dihydropyridin-2-ylidene}-1H-indazole-3-carboxamide
CAS Number:
1223877-09-5
Molecular Formula:
C21H18N4O
Molecular Weight:
342.3938
IUPAC Name:
N-[1-[(4-methylphenyl)methyl]pyridin-2-ylidene]-1H-indazole-3-carboxamide
InChI:
InChI=1S/C21H18N4O/c1-15-9-11-16(12-10-15)14-25-13-5-4-8-19(25)22-21(26)20-17-6-2-3-7-18(17)23-24-20/h2-13H,14H2,1H3,(H,23,24)
InChI Key:
HRMURELGZVVQSQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1ccccc1=NC(=O)c1n[nH]c2c1cccc2
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.148g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.402g/mol
Monoisotopic Mass:
342.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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