Cc1ccc(S(=O)(=O)OC2CC(C(=O)N3CCCCC3)N(C(=O)OC(C)(C)C)C2)cc1
SMILES: Cc1ccc(S(=O)(=O)OC2CC(C(=O)N3CCCCC3)N(C(=O)OC(C)(C)C)C2)cc1

Molecular Processing

Molecular formula
C22H32N2O6S
Molecular weight
452.57
Exact mass
452.1981
XLogP
3.09
TPSA
93.22
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
115.01

Supplementary Information

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