Name: (S)-2-{4′-[(5-chloro-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)c3oc4ccc(Cl)c(OC)c4c3C)cc2)cc1)C(C)CMolecular Processing
Molecular formula
C29H29ClN2O7S
Molecular weight
585.08
Exact mass
584.1384
XLogP
5.8
TPSA
123.94
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
153.31
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→