الاسم: N-[5-(3,5-difluoro-benzenesulfonyl)-1-trityl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-2,2,2-trifluoro-acetamide
SMILES:
O=C(Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)C(F)(F)FMolecular Processing
Molecular formula
C33H25F5N4O3S
Molecular weight
652.65
Exact mass
652.1568
XLogP
6.25
TPSA
84.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
46
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.152
Molar refractivity
159.18
Supplementary Information
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