SMILES:
CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(NC3CCN(C(=O)c4ccc(C(=O)O)cc4)CC3)cc2)ccc1OMolecular Processing
Molecular formula
C30H36N4O7S
Molecular weight
596.71
Exact mass
596.2305
XLogP
3.04
TPSA
168.3
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
160.5
Supplementary Information
Details werden geladen…
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