SMILES:
O=c1n(C2CC2)c2cccnc2n1[C@H]1C[C@H](Nc2nc3ccccc3s2)C1Molecular Processing
Molecular formula
C20H19N5OS
Molecular weight
377.47
Exact mass
377.131
XLogP
3.96
TPSA
64.74
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
107.57
Supplementary Information
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