SMILES:
CC(=O)Cc1nsc(NC(=O)[C@H](CC(C)C)N2CC(Oc3ccccc3Cl)=CC2=O)n1Molecular Processing
Molecular formula
C21H23ClN4O4S
Molecular weight
462.96
Exact mass
462.1129
XLogP
3.48
TPSA
101.49
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
118.04
Supplementary Information
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