SMILES:
N#Cc1c(N2CCC(CCO)CC2)nc(Cc2ccsc2)[nH]c1=OMolecular Processing
Molecular formula
C17H20N4O2S
Molecular weight
344.44
Exact mass
344.1307
XLogP
1.89
TPSA
93.01
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
93.34
Supplementary Information
Récupération des détails…
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