SMILES:
Cc1ccc(NC(=O)Nc2ncc(Sc3ccccn3)s2)c(C(=O)C2CCCC2)c1Molecular Processing
Molecular formula
C22H22N4O2S2
Molecular weight
438.58
Exact mass
438.1184
XLogP
6.01
TPSA
83.98
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
120.58
Supplementary Information
Details werden geladen…
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