SMILES:
COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3cccs3)sc2c1Molecular Processing
Molecular formula
C27H27NO3S2
Molecular weight
477.65
Exact mass
477.1432
XLogP
6.73
TPSA
38.77
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
137.35
Supplementary Information
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