Cl.O=C(O)c1cn(C2CC2)c2cc(N3CCNC(c4ccsc4)C3)c(F)cc2c1=O
SMILES: Cl.O=C(O)c1cn(C2CC2)c2cc(N3CCNC(c4ccsc4)C3)c(F)cc2c1=O

Molecular Processing

Molecular formula
C21H21ClFN3O3S
Molecular weight
449.94
Exact mass
449.0976
XLogP
3.81
TPSA
74.57
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
117.92

Supplementary Information

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