CC(C)S(=O)(=O)N1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1
SMILES: CC(C)S(=O)(=O)N1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1

Molecular Processing

Molecular formula
C28H34N4O6S
Molecular weight
554.67
Exact mass
554.2199
XLogP
1.88
TPSA
116.33
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
144.17

Supplementary Information

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