Nom: (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-{[1-(3-ethynylphenyl)cyclopropyl]amino}butan-2-ol dihydrochloride
SMILES:
C#Cc1cccc(C2(NC[C@@H](O)[C@@H](N)Cc3cc(F)cc(F)c3)CC2)c1.Cl.ClMolecular Processing
Molecular formula
C21H24Cl2F2N2O
Molecular weight
429.34
Exact mass
428.1234
XLogP
3.3
TPSA
58.28
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.333
Molar refractivity
111.83
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→