CN1CCN(c2cc(-c3ccc(S(=O)(=O)n4ccc(/C=C/C(=O)NOC5CCCCO5)c4)cc3)ccn2)CC1
SMILES: CN1CCN(c2cc(-c3ccc(S(=O)(=O)n4ccc(/C=C/C(=O)NOC5CCCCO5)c4)cc3)ccn2)CC1

Molecular Processing

Molecular formula
C28H33N5O5S
Molecular weight
551.67
Exact mass
551.2202
XLogP
3.13
TPSA
106
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
148.25

Supplementary Information

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