C[C@@H](c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O
SMILES: C[C@@H](c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O

Molecular Processing

Molecular formula
C28H38N2O5S
Molecular weight
514.69
Exact mass
514.2501
XLogP
4.79
TPSA
87.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
140.09

Supplementary Information

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