SMILES:
COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CC3)CC3CC3)c(S(C)(=O)=O)nn12Molecular Processing
Molecular formula
C25H31N3O3S
Molecular weight
453.61
Exact mass
453.2086
XLogP
4.66
TPSA
63.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
127.42
Supplementary Information
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