SMILES:
CCC(CC)c1cc(C)nn2c(-c3sc4ccc(O)cc4c3C)c(C)nc12Molecular Processing
Molecular formula
C22H25N3OS
Molecular weight
379.53
Exact mass
379.1718
XLogP
6.15
TPSA
50.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
113
Supplementary Information
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