SMILES:
CCN(CC)OC(=O)CSc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1ClMolecular Processing
Molecular formula
C20H22ClFN2O4S
Molecular weight
440.92
Exact mass
440.0973
XLogP
4.12
TPSA
66.92
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
109.13
Supplementary Information
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