SMILES:
COc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCSC3)c(C(C)O)c1Molecular Processing
Molecular formula
C23H28N2O2S
Molecular weight
396.56
Exact mass
396.1871
XLogP
3.93
TPSA
44.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
116.59
Supplementary Information
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