Name: Ethyl 3-[4-({2-[1-benzhydryl-5-chloro-2-(2-{[(2-chlorobenzyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethyl}sulfonyl)phenyl]propanoate
SMILES:
CCOC(=O)CCc1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccccc3Cl)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1Molecular Processing
Molecular formula
C43H42Cl2N2O6S2
Molecular weight
817.86
Exact mass
816.1861
XLogP
8.76
TPSA
111.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
17
Heavy atoms
55
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.233
Molar refractivity
220.01
Supplementary Information
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