COc1ccc(S(=O)(=O)C2(C(=O)O)CCN(CCCc3ccccc3)CC2)cc1
SMILES: COc1ccc(S(=O)(=O)C2(C(=O)O)CCN(CCCc3ccccc3)CC2)cc1

Molecular Processing

Molecular formula
C22H27NO5S
Molecular weight
417.53
Exact mass
417.161
XLogP
3.02
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
110.98

Supplementary Information

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Involved in 9 reactions→

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