SMILES:
COc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1OCMolecular Processing
Molecular formula
C22H18N4O2S
Molecular weight
402.48
Exact mass
402.115
XLogP
5.6
TPSA
72.06
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
117.54
Supplementary Information
Details werden geladen…
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