CC(C)(C)OC(=O)N1CCOCC1C(C(CC2=CC(=CC(=C2)F)F)C(=O)N3C(COC3=O)CC4=CC=CC=C4)O
Nom: tert-butyl 3-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]morpholine-4-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCOCC1C(C(CC2=CC(=CC(=C2)F)F)C(=O)N3C(COC3=O)CC4=CC=CC=C4)O

Molecular Processing

Molecular formula
C29H34F2N2O7
Molecular weight
560.59
Exact mass
560.2334
XLogP
3.71
TPSA
105.61
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
40
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
139.23

Supplementary Information

InChIKey: ROJJITSLKCMRGE-DRNWNIILSA-N
Synonymes
SCHEMBL2201531ROJJITSLKCMRGE-DRNWNIILSA-Ntert-butyl 3-((1s,2s)-2-(3,5-difluorobenzyl)-3-((s)-4-benzyl-2-oxooxazolidin-3-yl)-1-hydroxy-3-oxopropyl)morpholine-4-carboxylate
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→