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Home > Pyridines > 1204978-26-6
1204978-26-6 | (S)-3-benzyl-4,5-dimethyl-6-(3-methylpiperazin-1-yl)pyridazine
CAS No: 1204978-26-6 Catalog No: AG01DJB8 MDL No:
Product Description
Catalog Number:
AG01DJB8
Chemical Name:
(S)-3-benzyl-4,5-dimethyl-6-(3-methylpiperazin-1-yl)pyridazine
CAS Number:
1204978-26-6
Molecular Formula:
C18H24N4
Molecular Weight:
296.4100
IUPAC Name:
3-benzyl-4,5-dimethyl-6-[(3S)-3-methylpiperazin-1-yl]pyridazine
InChI:
InChI=1S/C18H24N4/c1-13-12-22(10-9-19-13)18-15(3)14(2)17(20-21-18)11-16-7-5-4-6-8-16/h4-8,13,19H,9-12H2,1-3H3/t13-/m0/s1
InChI Key:
AWJMGYYPWSRTBQ-ZDUSSCGKSA-N
SMILES:
C[C@@H]1NCCN(C1)c1nnc(c(c1C)C)Cc1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.2g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.418g/mol
Monoisotopic Mass:
296.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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