Name: product
SMILES:
CCn1c(=N)c(-c2cc(OC)cc(OC)c2)cc2cnc(SC)nc21Molecular Processing
Molecular formula
C18H20N4O2S
Molecular weight
356.45
Exact mass
356.1307
XLogP
3.34
TPSA
73.02
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
99.38
Supplementary Information
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