SMILES:
COC1=C(C)C=C(C(=O)NCC2CCCN2C2CCCCCCC2)C(OC)C1=S(=O)=OMolecular Processing
Molecular formula
C23H36N2O5S
Molecular weight
452.62
Exact mass
452.2345
XLogP
2.61
TPSA
84.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.739
Molar refractivity
121.36
Supplementary Information
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