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77469-98-8 | 6-(2-(4-METHOXYPHENYL)-1H-BENZO[D]IMIDAZOL-5-YL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE
CAS No: 77469-98-8 Catalog No: AG008MPS MDL No:MFCD05900557
Product Description
Catalog Number:
AG008MPS
Chemical Name:
6-(2-(4-METHOXYPHENYL)-1H-BENZO[D]IMIDAZOL-5-YL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE
CAS Number:
77469-98-8
Molecular Formula:
C19H18N4O2
Molecular Weight:
334.3718
MDL Number:
MFCD05900557
IUPAC Name:
3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride
InChI:
InChI=1S/C19H18N4O2.ClH/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12;/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24);1H
InChI Key:
OJLOGBZTFKPHDQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c([nH]1)ccc(c2)C1=NNC(=O)CC1C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.12g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
370.837g/mol
Monoisotopic Mass:
370.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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