Name: 2-[6-(4-Iodo-phenyl)-7-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-benzoic acid methyl ester
SMILES:
COC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(I)cc1)CC2Molecular Processing
Molecular formula
C22H17F3IN3O4
Molecular weight
571.29
Exact mass
571.0216
XLogP
4.49
TPSA
73.66
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
121
Supplementary Information
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