SMILES:
COc1ccc(C(C#N)(CCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccccn2)cc1OCMolecular Processing
Molecular formula
C31H37N3O4S
Molecular weight
547.72
Exact mass
547.2505
XLogP
6.25
TPSA
76.84
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
153.93
Supplementary Information
Details werden geladen…
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