SMILES:
Cn1c(C(O)C2CC2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1Molecular Processing
Molecular formula
C19H18N6OS
Molecular weight
378.46
Exact mass
378.1263
XLogP
3.18
TPSA
102.74
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
104.94
Supplementary Information
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