SMILES:
COC1=C(OC)C(=O)C(Cc2ccc(CCC(=O)N3CCSCC3)cc2)=C(C)C1=OMolecular Processing
Molecular formula
C23H27NO5S
Molecular weight
429.54
Exact mass
429.161
XLogP
2.71
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
116.13
Supplementary Information
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