Cc1cc(COc2ccc(S(=O)(=O)NC3CCNCC3(C)C(=O)NOC(C)(C)C)cc2)c2ccccc2n1
SMILES: Cc1cc(COc2ccc(S(=O)(=O)NC3CCNCC3(C)C(=O)NOC(C)(C)C)cc2)c2ccccc2n1

Molecular Processing

Molecular formula
C28H36N4O5S
Molecular weight
540.69
Exact mass
540.2406
XLogP
3.62
TPSA
118.65
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
145.94

Supplementary Information

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