Name: tert-Butyl 3-(3-(5-chloro-3-methylbenzo[b]thiophene-2-sulfonamido)phenyl)azetidine-1-carboxylate
SMILES:
Cc1c(S(=O)(=O)Nc2cccc(C3CN(C(=O)OC(C)(C)C)C3)c2)sc2ccc(Cl)cc12Molecular Processing
Molecular formula
C23H25ClN2O4S2
Molecular weight
493.05
Exact mass
492.0944
XLogP
6
TPSA
75.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
129.37
Supplementary Information
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