Nombre: Compound 49
SMILES:
N#Cc1c(N2CCNCC2)c2cc(F)ccc2n(Cc2ccc(F)cc2)c1=OMolecular Processing
Molecular formula
C21H18F2N4O
Molecular weight
380.4
Exact mass
380.1449
XLogP
2.61
TPSA
61.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
103.47
Supplementary Information
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