SMILES:
Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(OC(F)(F)F)cc2s1Molecular Processing
Molecular formula
C21H19F3N6OS
Molecular weight
460.49
Exact mass
460.1293
XLogP
4.63
TPSA
90.88
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
116.31
Supplementary Information
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Involved in 1 reactions→