Name: (1S,2S)-2-amino-1-[(3R)-4-benzhydrylmorpholin-3-yl]-3-(3,5-difluorophenyl)propan-1-ol

SMILES: C1COCC(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C(CC4=CC(=CC(=C4)F)F)N)O

Molecular Processing

Molecular formula

C26H28F2N2O2

Molecular weight

438.52

Exact mass

438.2119

XLogP

3.69

TPSA

58.72

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.308

Molar refractivity

120.08

Supplementary Information

InChIKey: ATSRYGKHDNOUEX-GSLIJJQTSA-N

Synonyms

SCHEMBL2204466ATSRYGKHDNOUEX-GSLIJJQTSA-N(1S,2S)-2-Amino-1-((R)-4-benzhydrylmorpholin-3-yl)-3-(3,5-difluorophenyl)propan-1-ol