SMILES:
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1ccc(Sc2ccc(S)cc2)cc1Molecular Processing
Molecular formula
C22H24N2OS3
Molecular weight
428.65
Exact mass
428.1051
XLogP
5.66
TPSA
52.89
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
119.05
Supplementary Information
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