SMILES:
O=C1CCc2c(C3OCCO3)cccc2N1Cc1ccc(Sc2ccccc2)cc1Molecular Processing
Molecular formula
C25H23NO3S
Molecular weight
417.53
Exact mass
417.1399
XLogP
5.36
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
117.61
Supplementary Information
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