Nombre: 2-(3-(3-amino-1-propyn-1-yl)-4-(4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1,3,3,3-hexafluoro-2-propanol trifluoroacetate
SMILES:
NCC#Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2cccs2)CC1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C22H20F9N3O5S2
Molecular weight
641.53
Exact mass
641.0701
XLogP
3.51
TPSA
124.17
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
127.36
Supplementary Information
Obteniendo detalles…
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