SMILES:
O=C(Nc1nccs1)C(CC1CCOCC1)c1ccc(SCC2CCOCC2)cc1Molecular Processing
Molecular formula
C23H30N2O3S2
Molecular weight
446.64
Exact mass
446.1698
XLogP
5.2
TPSA
60.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
122.35
Supplementary Information
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