SMILES:
COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccsc3C)CCC1)NCC2Molecular Processing
Molecular formula
C26H29NO2S
Molecular weight
419.59
Exact mass
419.1919
XLogP
5.95
TPSA
30.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
122.8
Supplementary Information
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