SMILES:
CN(c1cccc2cc(C3=NCC(C)(CN)S3)[nH]c12)S(=O)(=O)c1cccs1Molecular Processing
Molecular formula
C18H20N4O2S3
Molecular weight
420.59
Exact mass
420.0748
XLogP
3.27
TPSA
91.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
114.66
Supplementary Information
Récupération des détails…
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