ChemSpider 2D Image | N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-[(2r,4s)-4-Ethoxypiperidin-2-Yl]-2-Hydroxyethyl}-5-Methyl-N,N-Dipropylisophthalamide | C31H43F2N3O4

N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-[(2r,4s)-4-Ethoxypiperidin-2-Yl]-2-Hydroxyethyl}-5-Methyl-N,N-Dipropylisophthalamide

  • Molecular FormulaC31H43F2N3O4
  • Average mass559.688 Da
  • Monoisotopic mass559.322144 Da
  • ChemSpider ID9766907

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N3-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-[(2R,4S)-4-ethoxy-2-piperidinyl]-2-hydroxyethyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-{(1R,2S)-3-(3,5-Difluorophényl)-1-[(2R,4S)-4-éthoxy-2-pipéridinyl]-1-hydroxy-2-propanyl}-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-{(1R,2S)-3-(3,5-Difluorophenyl)-1-[(2R,4S)-4-ethoxy-2-piperidinyl]-1-hydroxy-2-propanyl}-5-methyl-N,N-dipropylisophthalamide [ACD/IUPAC Name]
N'-{(1R,2S)-3-(3,5-difluorophenyl)-1-[(2R,4S)-4-ethoxypiperidin-2-yl]-1-hydroxypropan-2-yl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
N'-{(1R,2S)-3-(3,5-Difluorphenyl)-1-[(2R,4S)-4-ethoxy-2-piperidinyl]-1-hydroxy-2-propanyl}-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-[(2r,4s)-4-Ethoxypiperidin-2-Yl]-2-Hydroxyethyl}-5-Methyl-N,N-Dipropylisophthalamide
CHEMBL257278
N1-((1R,2S)-3-(3,5-difluorophenyl)-1-((2R,4S)-4-ethoxypiperidin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide
SC7

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.0±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 8.61
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 51.08
ACD/KOC (pH 7.4): 210.54
Polar Surface Area: 91 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 468.7±5.0 cm3

Click to predict properties on the Chemicalize site


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