Name: Methyl 4-{[2-(1-benzhydryl-2-{2-[(benzylsulfonyl)amino]ethyl}-5-chloro-1H-indol-3-yl)ethyl]sulfonyl}benzoate
SMILES:
COC(=O)c1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1Molecular Processing
Molecular formula
C40H37ClN2O6S2
Molecular weight
741.33
Exact mass
740.1782
XLogP
7.4
TPSA
111.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
51
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.175
Molar refractivity
201.38
Supplementary Information
Details werden geladen…
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