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Home > Pyridines > 1086398-82-4
1086398-82-4 | 4-(3,5-Dimethoxy-phenyl)-3-methyl-1-phenyl-1H -indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one
CAS No: 1086398-82-4 Catalog No: AG01F36R MDL No:
Product Description
Catalog Number:
AG01F36R
Chemical Name:
4-(3,5-Dimethoxy-phenyl)-3-methyl-1-phenyl-1H -indeno[1,2-b]pyrazolo[4,3-e]pyridin-5-one
CAS Number:
1086398-82-4
Molecular Formula:
C28H21N3O3
Molecular Weight:
447.4846
IUPAC Name:
10-(3,5-dimethoxyphenyl)-12-methyl-14-phenyl-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaen-8-one
InChI:
InChI=1S/C28H21N3O3/c1-16-23-24(17-13-19(33-2)15-20(14-17)34-3)25-26(21-11-7-8-12-22(21)27(25)32)29-28(23)31(30-16)18-9-5-4-6-10-18/h4-15H,1-3H3
InChI Key:
AQOOQHWJDCUZHJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)c1c2c(nc3c1c(C)nn3c1ccccc1)c1c(C2=O)cccc1
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.158g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.494g/mol
Monoisotopic Mass:
447.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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