Nombre: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-[2-(methylsulfinyl)ethyl]azepan-2-one
SMILES:
CS(=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](N)C1=OMolecular Processing
Molecular formula
C15H20F2N2O2S
Molecular weight
330.4
Exact mass
330.1214
XLogP
1.38
TPSA
63.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
81.82
Supplementary Information
Obteniendo detalles…
Participa en 13 reacciones→