SMILES:
Cc1cnc(CSc2nc3ccccc3[nH]2)c(C)c1OCC1COC(C)(C)OC1Molecular Processing
Molecular formula
C22H27N3O3S
Molecular weight
413.54
Exact mass
413.1773
XLogP
4.64
TPSA
69.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
114.33
Supplementary Information
No supplementary data available
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