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872682-09-2 | 2H-Indazole, 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-
CAS No: 872682-09-2 Catalog No: AG004PWR MDL No:
Product Description
Catalog Number:
AG004PWR
Chemical Name:
2H-Indazole, 2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-
CAS Number:
872682-09-2
Molecular Formula:
C22H20N2O
Molecular Weight:
328.4070
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
InChI:
InChI=1S/C22H20N2O/c1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(20)23-24(22)15-17-9-13-19(25-2)14-10-17/h3-14H,15H2,1-2H3
InChI Key:
WGFNKMREZUSWJF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1nc2c(c1c1ccc(cc1)C)cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.415g/mol
Monoisotopic Mass:
328.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Synthesis of N2-(substituted benzyl)-3-(4-methylphenyl)indazoles as novel anti-angiogenic agents. | Bioorganic & medicinal chemistry 20060115 |
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