Nombre: N4-(4-tert-butylphenyl)-5-fluoro-N2-[2,3-dihydro-2-(carboxy)benzofuran-5-yl]-2,4-pyrimidinediamine
SMILES:
CC(C)(C)c1ccc(Nc2nc(Nc3ccc4c(c3)CC(C(=O)O)O4)ncc2F)cc1Molecular Processing
Molecular formula
C23H23FN4O3
Molecular weight
422.46
Exact mass
422.1754
XLogP
4.79
TPSA
96.37
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
115.9
Supplementary Information
Obteniendo detalles…
Participa en 95 reacciones→