SMILES:
N#Cc1c(N2CCC3(CC2)OCCCO3)nc(Cc2ccsc2)[nH]c1=OMolecular Processing
Molecular formula
C18H20N4O3S
Molecular weight
372.45
Exact mass
372.1256
XLogP
2.03
TPSA
91.24
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
97.4
Supplementary Information
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