Name: 6-(4-morpholinyl)-3-[3-(trifluoromethyl)phenyl]-1,5(6H)-pyridazindicarboxylic acid, diethyl ester
SMILES:
CCOC(=O)C1=CC(c2cccc(C(F)(F)F)c2)=NN(C(=O)OCC)C1N1CCOCC1Molecular Processing
Molecular formula
C21H24F3N3O5
Molecular weight
455.43
Exact mass
455.1668
XLogP
3.03
TPSA
80.67
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
107.74
Supplementary Information
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