SMILES:
COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CC(C)N)CC3c3ccc(OC)cc3)cc21Molecular Processing
Molecular formula
C35H47N3O6S
Molecular weight
637.84
Exact mass
637.3186
XLogP
5.11
TPSA
103.56
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.486
Molar refractivity
176.7
Supplementary Information
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