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Home > Indoles and Oxindole > 78860-86-3
78860-86-3 | 6-(4-ethoxyphenyl)-4-(1H-indol-3-yl)-2,3,4,5-tetrahydropyridazin-3-one
CAS No: 78860-86-3 Catalog No: AG00ITBI MDL No:MFCD00170283
Product Description
Catalog Number:
AG00ITBI
Chemical Name:
6-(4-ethoxyphenyl)-4-(1H-indol-3-yl)-2,3,4,5-tetrahydropyridazin-3-one
CAS Number:
78860-86-3
Molecular Formula:
C20H19N3O2
Molecular Weight:
333.3838
MDL Number:
MFCD00170283
IUPAC Name:
3-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C20H19N3O2/c1-2-25-14-9-7-13(8-10-14)19-11-16(20(24)23-22-19)17-12-21-18-6-4-3-5-15(17)18/h3-10,12,16,21H,2,11H2,1H3,(H,23,24)
InChI Key:
MUTCRGXQPULAHV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C1=NNC(=O)C(C1)c1c[nH]c2c1cccc2
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.391g/mol
Monoisotopic Mass:
333.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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