SMILES:
CCOC(=O)c1cc2c(C(C#N)c3ccc4c(c3)OCO4)nc(N)nc2s1Molecular Processing
Molecular formula
C18H14N4O4S
Molecular weight
382.4
Exact mass
382.0736
XLogP
2.83
TPSA
120.35
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
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
0.222
Molar refractivity
97.8
Supplementary Information
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