SMILES:
N#CC1(NC2CCc3ccc(CNS(=O)(=O)C4CCC4)cc3C2Cc2ccccc2)COC1Molecular Processing
Molecular formula
C26H31N3O3S
Molecular weight
465.62
Exact mass
465.2086
XLogP
3.18
TPSA
91.22
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
127.14
Supplementary Information
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