SMILES:
CCN1C(=O)C(Nc2ccc(N3CCOCC3)cc2)=C(c2ccccc2)S1(=O)=OMolecular Processing
Molecular formula
C21H23N3O4S
Molecular weight
413.5
Exact mass
413.1409
XLogP
2.5
TPSA
78.95
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
112.77
Supplementary Information
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