SMILES:
C=CCOC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)Cn1cnc2c(Br)c(Cl)sc2c1=OMolecular Processing
Molecular formula
C19H21BrClN3O5S
Molecular weight
518.82
Exact mass
517.0074
XLogP
3.64
TPSA
90.73
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
118.28
Supplementary Information
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