Name: 3′-(4-chloromethyl-phenyl)-4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2′]bipyrazinyl dihydrochloride
SMILES:
Cc1c(CN2CCN(c3nccnc3-c3ccc(CCl)cc3)CC2)cnn1C.Cl.ClMolecular Processing
Molecular formula
C21H27Cl3N6
Molecular weight
469.85
Exact mass
468.1363
XLogP
4.09
TPSA
50.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.381
Molar refractivity
126.96
Supplementary Information
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