CC1CCCCC1NC(=O)c1cccc2c(S(=O)(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cccc12
SMILES: CC1CCCCC1NC(=O)c1cccc2c(S(=O)(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cccc12

Molecular Processing

Molecular formula
C28H39N3O5S
Molecular weight
529.7
Exact mass
529.261
XLogP
4.83
TPSA
104.81
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
143.98

Supplementary Information

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