SMILES:
CC1(C)OCCC12SC(N[C@H]1C[C@@H]3CC[C@H]1C3)=NC2=OMolecular Processing
Molecular formula
C15H22N2O2S
Molecular weight
294.42
Exact mass
294.1402
XLogP
2.33
TPSA
50.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.867
Molar refractivity
79.78
Supplementary Information
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