COC(=O)COc1ccc(OCC#Cc2cc(C#CCN3CCOCC3)cc(C#Cc3ccc(S(C)(=O)=O)cc3)c2)cc1C
SMILES: COC(=O)COc1ccc(OCC#Cc2cc(C#CCN3CCOCC3)cc(C#Cc3ccc(S(C)(=O)=O)cc3)c2)cc1C

Molecular Processing

Molecular formula
C35H33NO7S
Molecular weight
611.72
Exact mass
611.1978
XLogP
3.46
TPSA
91.37
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
167.17

Supplementary Information

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