SMILES:
CCCc1cc(C)c(OCCNC2=c3ccsc3=NCN2C)c(C)c1Molecular Processing
Molecular formula
C20H27N3OS
Molecular weight
357.52
Exact mass
357.1875
XLogP
2.57
TPSA
36.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
104.55
Supplementary Information
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