COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CC(C)(C)C(=O)NC4CCN(C)CC4)CC3c3ccc(OC)cc3)cc21
SMILES: COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CC(C)(C)C(=O)NC4CCN(C)CC4)CC3c3ccc(OC)cc3)cc21

Molecular Processing

Molecular formula
C43H60N4O7S
Molecular weight
777.04
Exact mass
776.4183
XLogP
6
TPSA
109.88
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
15
Heavy atoms
55
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.558
Molar refractivity
215.49

Supplementary Information

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