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Home > Pyridines > 338755-44-5
338755-44-5 | N-{1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-4-methylpiperazine-1-carboxamide
CAS No: 338755-44-5 Catalog No: AG00IPJE MDL No:MFCD00140017
Product Description
Catalog Number:
AG00IPJE
Chemical Name:
N-{1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-4-methylpiperazine-1-carboxamide
CAS Number:
338755-44-5
Molecular Formula:
C18H20Cl2N4O2
Molecular Weight:
395.2830
MDL Number:
MFCD00140017
IUPAC Name:
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxopyridin-3-yl]-4-methylpiperazine-1-carboxamide
InChI:
InChI=1S/C18H20Cl2N4O2/c1-22-7-9-23(10-8-22)18(26)21-16-3-2-6-24(17(16)25)12-13-4-5-14(19)15(20)11-13/h2-6,11H,7-10,12H2,1H3,(H,21,26)
InChI Key:
AVYNWKRLTHDQBK-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)Nc1cccn(c1=O)Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.284g/mol
Monoisotopic Mass:
394.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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