Name: (S)-3-methyl-2-{4′-[(3-methyl-4-pyridin-3-yl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid methyl ester
SMILES:
COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4cccc(-c5cccnc5)c4c3C)cc2)cc1)C(C)CMolecular Processing
Molecular formula
C33H31N3O6S
Molecular weight
597.69
Exact mass
597.1934
XLogP
6.2
TPSA
127.6
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
43
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
164.98
Supplementary Information
Details werden geladen…
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