SMILES:
N#CC1CCOC1c1cc(-c2cc3c(N)ncc(C(N)=O)c3s2)cs1Molecular Processing
Molecular formula
C17H14N4O2S2
Molecular weight
370.46
Exact mass
370.0558
XLogP
3.31
TPSA
115.02
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
98.28
Supplementary Information
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