SMILES:
N#CCC(=O)Nc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1Molecular Processing
Molecular formula
C23H22N6O2S
Molecular weight
446.54
Exact mass
446.1525
XLogP
4.06
TPSA
103.17
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
124.21
Supplementary Information
Récupération des détails…
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