名称: N-[5-((1R)-2-{benzyl-[1-(4-butoxy-benzenesulfonyl)-azetidin-3-yl]-amino}-1-triethylsilanyloxy-ethyl)-2-benzyloxy-phenyl]-methanesulfonamide
SMILES:
CCCCOc1ccc(S(=O)(=O)N2CC(N(Cc3ccccc3)C[C@H](O[Si](CC)(CC)CC)c3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)C2)cc1Molecular Processing
Molecular formula
C42H57N3O7S2Si
Molecular weight
808.15
Exact mass
807.3407
XLogP
8.45
TPSA
114.48
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
22
Heavy atoms
55
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
222.95
Supplementary Information
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