SMILES:
CCCc1nc2cccc(C(=S)OC)c2n1Cc1ccc(-c2ccccc2C(=N)NO)cc1Molecular Processing
Molecular formula
C26H26N4O2S
Molecular weight
458.59
Exact mass
458.1776
XLogP
5.33
TPSA
83.16
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
135.17
Supplementary Information
Details werden geladen…
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