ChemSpider 2D Image | 2-{4-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]methyl}-1,3-dioxan-2-yl]benzyl}-1H-isoindole-1,3(2H)-dione | C39H38N4O6

2-{4-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]methyl}-1,3-dioxan-2-yl]benzyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC39H38N4O6
  • Average mass658.742 Da
  • Monoisotopic mass658.279114 Da
  • ChemSpider ID5135648

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Isoindole-1,3(2H)-dione, 2-[[4-[(2R,4R,6S)-4-[[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]- [ACD/Index Name]
2-{4-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]methyl}-1,3-dioxan-2-yl]benzyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{4-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]methyl}-1,3-dioxan-2-yl]benzyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{4-[(2R,4S,6R)-4-[4-(Hydroxyméthyl)phényl]-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-pipéridinyl]méthyl}-1,3-dioxan-2-yl]benzyl}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DIOX2_022463 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 181.2±0.0 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 9.48
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 71.45
ACD/KOC (pH 7.4): 482.87
Polar Surface Area: 112 Å2
Polarizability: 71.8±0.0 10-24cm3
Surface Tension: 62.2±0.0 dyne/cm
Molar Volume: 489.1±0.0 cm3

Click to predict properties on the Chemicalize site


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