이름: (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-ol
SMILES:
CCC1=CC(=CC=C1)CNCC(C(CC2=CC(=CC(=C2)F)F)N)OMolecular Processing
Molecular formula
C19H24F2N2O
Molecular weight
334.41
Exact mass
334.1857
XLogP
2.55
TPSA
58.28
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
91.57
Supplementary Information
InChIKey: NGKHHLLMCCQDNI-RBUKOAKNSA-N
동의어
SCHEMBL3349064NGKHHLLMCCQDNI-RBUKOAKNSA-N(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylbenzyl)amino]butan-2-ol
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