الاسم: 2,4-Difluoro-N-[5-[4-{5-[(8aS)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylmethyl]-1,3,4-oxadiazol-2-yl}-1-(phenylsulfonyl)-1H-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]benzenesulfonamide
SMILES:
COc1ncc(-c2cc(-c3nnc(CN4CCN5CCC[C@H]5C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1FMolecular Processing
Molecular formula
C35H32F2N8O6S2
Molecular weight
762.82
Exact mass
762.1854
XLogP
4.75
TPSA
165.65
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
53
Rings
8
Aromatic rings
6
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.257
Molar refractivity
188.87
Supplementary Information
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