SMILES:
CNC(=O)c1cc(Oc2cc3sc(NCC4CCCCC4)nc3cc2F)ccn1Molecular Processing
Molecular formula
C21H23FN4O2S
Molecular weight
414.51
Exact mass
414.1526
XLogP
4.97
TPSA
76.14
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
112.34
Supplementary Information
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