名称: 4-(4-chloro-2-{1-[1-(diphenylmethyl)azetidin-3-yl]-1H-pyrazol-5-yl}phenoxy)-N-(2,4-dimethoxybenzyl)-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
SMILES:
COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3-c3ccnn3C3CN(C(c4ccccc4)c4ccccc4)C3)cc2F)c(OC)c1Molecular Processing
Molecular formula
C42H35ClF2N6O5S2
Molecular weight
841.36
Exact mass
840.1767
XLogP
9.18
TPSA
111.91
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
58
Rings
8
Aromatic rings
7
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
217.27
Supplementary Information
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