SMILES:
CCN(CCO)C(C)C#Cc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1Molecular Processing
Molecular formula
C22H21F3N2OS
Molecular weight
418.48
Exact mass
418.1327
XLogP
5.04
TPSA
36.36
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
110.73
Supplementary Information
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