Name: 3-chloro-6-(3,3-diphenylpropionyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILES:
O=C(CC(c1ccccc1)c1ccccc1)N1CCc2nnc(Cl)cc2C1Molecular Processing
Molecular formula
C22H20ClN3O
Molecular weight
377.88
Exact mass
377.1295
XLogP
4.24
TPSA
46.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
105.51
Supplementary Information
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