CCC1=CC(=CC=C1)CNCC(C(CC2=CC(=CC(=C2)F)F)N)O.Cl.Cl
名称: (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol;dihydrochloride
SMILES: CCC1=CC(=CC=C1)CNCC(C(CC2=CC(=CC(=C2)F)F)N)O.Cl.Cl

Molecular Processing

Molecular formula
C19H26Cl2F2N2O
Molecular weight
407.33
Exact mass
406.139
XLogP
3.39
TPSA
58.28
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.368
Molar refractivity
106.07

Supplementary Information

InChIKey: RNPOGTYLPIRGLE-DPSPSOFVSA-N
同義語
SCHEMBL3348461RNPOGTYLPIRGLE-DPSPSOFVSA-N(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylbenzyl)amino]butan-2-ol dihydrochloride(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1[(3-ethylbenzyl)amino]butan-2-ol dihydrochloride
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