SMILES:
CC(C)(C)OC(=O)N1CCC(NC(=S)NN2CC(O)CC(c3ccc(F)cc3Cl)C2=O)CC1Molecular Processing
Molecular formula
C22H30ClFN4O4S
Molecular weight
501.02
Exact mass
500.166
XLogP
2.93
TPSA
94.14
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
126.19
Supplementary Information
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