SMILES:
CC(C)Oc1ccc(-c2cnc(-c3ccc(CN4CC(C(N)=O)C4)cc3)s2)cc1Molecular Processing
Molecular formula
C23H25N3O2S
Molecular weight
407.54
Exact mass
407.1667
XLogP
4.18
TPSA
68.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
116.71
Supplementary Information
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