Name: 1-[1-({3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}carbonyl)-3-hydroxyazetidin-3-yl]-2-(1,3-dioxolan-2-yl)ethyl 2,4,6-tris(1-methylethyl)benzenesulfonate
SMILES:
CC(C)c1cc(C(C)C)c(S(=O)(=O)OC(CC2OCCO2)C2(O)CN(C(=O)c3ccc(F)c(F)c3Nc3ccc(I)cc3F)C2)c(C(C)C)c1Molecular Processing
Molecular formula
C36H42F3IN2O7S
Molecular weight
830.7
Exact mass
830.171
XLogP
7.55
TPSA
114.4
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
50
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.472
Molar refractivity
190.69
Supplementary Information
Details werden geladen…
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