CC1CN(CC(N1C(C)C)C)CC2=NN=C(O2)C3=C4C=NNC4=CC(=C3)C5=CC(=C(N=C5)OC)NS(=O)(=O)C6=C(C=C(C=C6)F)F
الاسم: N-[5-[4-[5-[[(3R,5S)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILES: CC1CN(CC(N1C(C)C)C)CC2=NN=C(O2)C3=C4C=NNC4=CC(=C3)C5=CC(=C(N=C5)OC)NS(=O)(=O)C6=C(C=C(C=C6)F)F

Molecular Processing

Molecular formula
C31H34F2N8O4S
Molecular weight
652.73
Exact mass
652.2392
XLogP
5.07
TPSA
142.37
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
46
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
167.51

Supplementary Information

InChIKey: BQHJTCOACIWZAU-KDURUIRLSA-N
مرادفات
SCHEMBL456997BQHJTCOACIWZAU-KDURUIRLSA-NN-[5-[4-(5-{[(3R,5S)-3,5-Dimethyl-4-(1-methylethyl)-1-piperazinyl]methyl}-1,3,4-oxadiazol-2-yl)-1H-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
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