Nom: 4-[2-chloro-8-[2-(4,4-difluoropiperidin-1-yl)ethyl]-9-methylpurin-6-yl]morpholine
SMILES:
CN1C(=NC2=C1N=C(N=C2N3CCOCC3)Cl)CCN4CCC(CC4)(F)FMolecular Processing
Molecular formula
C17H23ClF2N6O
Molecular weight
400.86
Exact mass
400.159
XLogP
2.13
TPSA
59.31
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.706
Molar refractivity
98.67
Supplementary Information
InChIKey: VDOLDTUNCHXITH-UHFFFAOYSA-N
Synonymes
2-Chloro-8-[2-(4,4-difluoropiperidin-1-yl)ethyl]-9-methyl-6-morpholin-4-yl-9H-purineSCHEMBL2672998
Impliqué dans 6 réactions→