SMILES:
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCCNC1Molecular Processing
Molecular formula
C20H20ClFN4O2
Molecular weight
402.86
Exact mass
402.1259
XLogP
4.31
TPSA
68.3
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
107.3
Supplementary Information
Obteniendo detalles…
Participa en 11 reacciones→