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Home > Indoles and Oxindole > 1023533-10-9
1023533-10-9 | 6-(4-ethoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-2,3,4,5-tetrahydropyridazin-3-one
CAS No: 1023533-10-9 Catalog No: AG00ITBH MDL No:MFCD00170280
Product Description
Catalog Number:
AG00ITBH
Chemical Name:
6-(4-ethoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-2,3,4,5-tetrahydropyridazin-3-one
CAS Number:
1023533-10-9
Molecular Formula:
C21H21N3O2
Molecular Weight:
347.4103
MDL Number:
MFCD00170280
IUPAC Name:
3-(4-ethoxyphenyl)-5-(1-methylindol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C21H21N3O2/c1-3-26-15-10-8-14(9-11-15)19-12-17(21(25)23-22-19)18-13-24(2)20-7-5-4-6-16(18)20/h4-11,13,17H,3,12H2,1-2H3,(H,23,25)
InChI Key:
JMTAMUWSSSBSOH-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C1=NNC(=O)C(C1)c1cn(c2c1cccc2)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.418g/mol
Monoisotopic Mass:
347.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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