SMILES:
CC(=O)SCCN(CCC1CCCCC1)C(=O)NC(C)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C20H36N2O4S
Molecular weight
400.59
Exact mass
400.2396
XLogP
3.98
TPSA
75.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
109.74
Supplementary Information
Obteniendo detalles…
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