O=C(OCc1ccccc1)N1CCCN(C(=O)C(Cc2ccc(O)cc2)NS(=O)(=O)c2cccc3cnccc23)CC1
SMILES: O=C(OCc1ccccc1)N1CCCN(C(=O)C(Cc2ccc(O)cc2)NS(=O)(=O)c2cccc3cnccc23)CC1

Molecular Processing

Molecular formula
C31H32N4O6S
Molecular weight
588.69
Exact mass
588.2043
XLogP
3.7
TPSA
129.14
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
157.06

Supplementary Information

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