SMILES:
CN(C)C(=O)OC(c1nc(-c2ccccc2)c(-c2nc3c(N)ncnc3s2)n1C)C1CC1Molecular Processing
Molecular formula
C22H23N7O2S
Molecular weight
449.54
Exact mass
449.1634
XLogP
3.89
TPSA
112.05
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
122.89
Supplementary Information
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