名称: (S)-2-{4′-[(4-methoxy-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid methyl ester
SMILES:
COC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4cccc(OC)c4c3C)cc2)cc1)C(C)CMolecular Processing
Molecular formula
C29H30N2O7S
Molecular weight
550.63
Exact mass
550.1774
XLogP
5.15
TPSA
123.94
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
148.3
Supplementary Information
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