CCOC(=O)N1CCN(C(=O)C(CCS(C)(=O)=O)NC(=O)c2cc(O)n(-c3ccccc3)n2)CC1
SMILES: CCOC(=O)N1CCN(C(=O)C(CCS(C)(=O)=O)NC(=O)c2cc(O)n(-c3ccccc3)n2)CC1

Molecular Processing

Molecular formula
C22H29N5O7S
Molecular weight
507.57
Exact mass
507.1788
XLogP
0.41
TPSA
151.14
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
125.99

Supplementary Information

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