SMILES:
Cc1ccccc1-c1nc2c(C)cccc2cc1CSc1ncnc2[nH]cnc12Molecular Processing
Molecular formula
C23H19N5S
Molecular weight
397.51
Exact mass
397.1361
XLogP
5.48
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
117.9
Supplementary Information
Details werden geladen…
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