SMILES:
COC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc4sccc4c3)cccc2C1=OMolecular Processing
Molecular formula
C23H22N2O5S
Molecular weight
438.51
Exact mass
438.1249
XLogP
3.24
TPSA
98.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
116.7
Supplementary Information
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