Nombre: 4-(3-[(1S)-2-hydroxy-1-methylethoxy]-5-{[(1-methyl-1H-pyrazol-3-yl)amino]carbonyl}phenoxy)benzoic acid
SMILES:
C[C@@H](CO)Oc1cc(Oc2ccc(C(=O)O)cc2)cc(C(=O)Nc2ccn(C)n2)c1Molecular Processing
Molecular formula
C21H21N3O6
Molecular weight
411.41
Exact mass
411.143
XLogP
2.92
TPSA
122.91
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
108.25
Supplementary Information
Obteniendo detalles…
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