Name: 2-[5-Bromo-2-(4-t-butyl-benzenesulfonylamino)-benzoylamino]-3-(2′-phenoxy-biphenyl-4-yl)propionic acid methyl ester
SMILES:
COC(=O)C(Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1Molecular Processing
Molecular formula
C39H37BrN2O6S
Molecular weight
741.7
Exact mass
740.1556
XLogP
8.52
TPSA
110.8
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
49
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
195.46
Supplementary Information
Details werden geladen…
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