SMILES:
Cn1cnc(-c2cccc(NC(=O)OC(C)(C)C)c2)c1-c1cc2c(N)ncnc2s1Molecular Processing
Molecular formula
C21H22N6O2S
Molecular weight
422.51
Exact mass
422.1525
XLogP
4.69
TPSA
107.95
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
119.32
Supplementary Information
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