C=CCOC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)Cn1cnc2cc(SC)c(Cl)cc2c1=O
SMILES: C=CCOC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)Cn1cnc2cc(SC)c(Cl)cc2c1=O

Molecular Processing

Molecular formula
C22H26ClN3O5S
Molecular weight
479.99
Exact mass
479.1282
XLogP
3.53
TPSA
90.73
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
124.49

Supplementary Information

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