Name: Methyl 3-[4-({2-[1-benzhydryl-5-chloro-2-(2-{[(2-chlorobenzyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethyl}sulfonyl)phenyl]benzoate
SMILES:
COC(=O)c1cccc(-c2ccc(S(=O)(=O)CCc3c(CCNS(=O)(=O)Cc4ccccc4Cl)n(C(c4ccccc4)c4ccccc4)c4ccc(Cl)cc34)cc2)c1Molecular Processing
Molecular formula
C46H40Cl2N2O6S2
Molecular weight
851.87
Exact mass
850.1705
XLogP
9.72
TPSA
111.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
58
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.152
Molar refractivity
231.83
Supplementary Information
Details werden geladen…
An 5 Reaktionen beteiligt→