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634155-10-5 | 6-(4-tert-butylphenyl)-4-(1-methyl-1H-indol-3-yl)-2,3,4,5-tetrahydropyridazin-3-one
CAS No: 634155-10-5 Catalog No: AG00IZZT MDL No:MFCD00170727
Product Description
Catalog Number:
AG00IZZT
Chemical Name:
6-(4-tert-butylphenyl)-4-(1-methyl-1H-indol-3-yl)-2,3,4,5-tetrahydropyridazin-3-one
CAS Number:
634155-10-5
Molecular Formula:
C23H25N3O
Molecular Weight:
359.4641
MDL Number:
MFCD00170727
IUPAC Name:
3-(4-tert-butylphenyl)-5-(1-methylindol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C23H25N3O/c1-23(2,3)16-11-9-15(10-12-16)20-13-18(22(27)25-24-20)19-14-26(4)21-8-6-5-7-17(19)21/h5-12,14,18H,13H2,1-4H3,(H,25,27)
InChI Key:
OHBPNKJOKGNIPP-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CC1c1cn(c2c1cccc2)C)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.2g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.473g/mol
Monoisotopic Mass:
359.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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