ChemSpider 2D Image | N-{3-[(2S,4R,6S)-4-[4-(Hydroxymethyl)phenyl]-6-(4-morpholinylmethyl)-1,3-dioxan-2-yl]phenyl}-1-(trifluoroacetyl)-L-prolinamide | C29H34F3N3O6

N-{3-[(2S,4R,6S)-4-[4-(Hydroxymethyl)phenyl]-6-(4-morpholinylmethyl)-1,3-dioxan-2-yl]phenyl}-1-(trifluoroacetyl)-L-prolinamide

  • Molecular FormulaC29H34F3N3O6
  • Average mass577.592 Da
  • Monoisotopic mass577.239990 Da
  • ChemSpider ID5125507

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[3-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-(4-morpholinylmethyl)-1,3-dioxan-2-yl]phenyl]-1-(2,2,2-trifluoroacetyl)-, (2S)- [ACD/Index Name]
N-{3-[(2S,4R,6S)-4-[4-(Hydroxyméthyl)phényl]-6-(4-morpholinylméthyl)-1,3-dioxan-2-yl]phényl}-1-(2,2,2-trifluoroacétyl)-L-prolinamide [French] [ACD/IUPAC Name]
N-{3-[(2S,4R,6S)-4-[4-(Hydroxymethyl)phenyl]-6-(4-morpholinylmethyl)-1,3-dioxan-2-yl]phenyl}-1-(trifluoracetyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-{3-[(2S,4R,6S)-4-[4-(Hydroxymethyl)phenyl]-6-(4-morpholinylmethyl)-1,3-dioxan-2-yl]phenyl}-1-(trifluoroacetyl)-L-prolinamide [ACD/IUPAC Name]

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

DIOX2_011853 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.5±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 6.55
ACD/KOC (pH 5.5): 69.84
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 57.68
ACD/KOC (pH 7.4): 615.32
Polar Surface Area: 101 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 429.5±3.0 cm3

Click to predict properties on the Chemicalize site


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