SMILES:
CC1(CC2CCN(S(C)(=O)=O)CC2)SC(N[C@H]2CC3CCC2C3)=NC1=OMolecular Processing
Molecular formula
C18H29N3O3S2
Molecular weight
399.58
Exact mass
399.165
XLogP
2.21
TPSA
78.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
104.57
Supplementary Information
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