SMILES:
C=C1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C(C)C)CC1Molecular Processing
Molecular formula
C22H25NO3S
Molecular weight
383.51
Exact mass
383.1555
XLogP
5.6
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
110.43
Supplementary Information
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