Nombre: (RS)-3-oxo-3-{3-[4-(tetrahydro-pyran-2-yloxymethyl)-pyrazol-1-yl]-phenyl}-propionic acid tert.-butyl ester
SMILES:
CC(C)(C)OC(=O)CC(=O)c1cccc(-n2cc(COC3CCCCO3)cn2)c1Molecular Processing
Molecular formula
C22H28N2O5
Molecular weight
400.48
Exact mass
400.1998
XLogP
3.83
TPSA
79.65
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
106.74
Supplementary Information
Obteniendo detalles…
Participa en 4 reacciones→