SMILES:
CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=S)o[nH]2)cc1Molecular Processing
Molecular formula
C28H26N4O3S
Molecular weight
498.61
Exact mass
498.1726
XLogP
6.59
TPSA
85.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
141.35
Supplementary Information
Obteniendo detalles…
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