Nombre: 2-({5-chloro-2-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)amino]-4-pyridinyl}amino)benzoic acid
SMILES:
CCn1nc(C)cc1Nc1cc(Nc2ccccc2C(=O)O)c(Cl)cn1Molecular Processing
Molecular formula
C18H18ClN5O2
Molecular weight
371.83
Exact mass
371.1149
XLogP
4.45
TPSA
92.07
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
101.85
Supplementary Information
Obteniendo detalles…
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