Название: N1-((1S,2S)-1-((R)-4-benzhydrylmorpholin-3-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-N3,N3-dipropylisophthalamide
SMILES:
CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2COCCN2C(c2ccccc2)c2ccccc2)c1Molecular Processing
Molecular formula
C40H45F2N3O4
Molecular weight
669.81
Exact mass
669.3378
XLogP
6.42
TPSA
82.11
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
49
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
186.29
Supplementary Information
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