SMILES:
CCCCCCCCCCCCCCCCCCSCC(O)Cn1ccc(N)nc1=OMolecular Processing
Molecular formula
C25H47N3O2S
Molecular weight
453.74
Exact mass
453.3389
XLogP
6.18
TPSA
81.14
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
21
Heavy atoms
31
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.84
Molar refractivity
135.79
Supplementary Information
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