Name: 4-trifluoromethanesulfonyloxy-7-{1-(tert-butoxycarbonyl)-5-[4-(2-tert-butyldimethylsilyloxyethyl)pyperazin-1-ylmethyl]indol-2-yl}isoindolinone
SMILES:
CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)C(F)(F)F)c3c2C(=O)NC3)cc2cc(CN3CCN(CCO[Si](C)(C)C(C)(C)C)CC3)ccc21Molecular Processing
Molecular formula
C35H47F3N4O7SSi
Molecular weight
752.93
Exact mass
752.2887
XLogP
6.7
TPSA
119.41
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
51
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.543
Molar refractivity
190.64
Supplementary Information
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