SMILES:
Cc1oncc1S(=O)(=O)n1ccc2c3c(ccc21)OCCN(C(=O)OC(C)(C)C)C3CMolecular Processing
Molecular formula
C21H25N3O6S
Molecular weight
447.51
Exact mass
447.1464
XLogP
3.87
TPSA
103.87
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
112.61
Supplementary Information
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