SMILES:
CCCCSc1ccc2nn(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc2c1Molecular Processing
Molecular formula
C24H33N3OS
Molecular weight
411.62
Exact mass
411.2344
XLogP
6.61
TPSA
50.94
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
123.56
Supplementary Information
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