Nombre: (S)-3-methyl-2-{4′-[(3-methyl-4-morpholin-4-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(N5CCOCC5)c4c3C)cc2)cc1)C(C)CMolecular Processing
Molecular formula
C32H35N3O7S
Molecular weight
605.71
Exact mass
605.2196
XLogP
4.97
TPSA
127.18
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
164.78
Supplementary Information
Obteniendo detalles…
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