ChemSpider 2D Image | N'-[(1s,2r)-2-[(2r,4r)-4-(Benzyloxy)pyrrolidin-2-Yl]-1-(3,5-Difluorobenzyl)-2-Hydroxyethyl]-5-Methyl-N,N-Dipropylisophthalamide | C35H43F2N3O4

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

  • Molecular FormulaC35H43F2N3O4
  • Average mass607.730 Da
  • Monoisotopic mass607.322144 Da
  • ChemSpider ID9731032

  • 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-hydroxy-2-[(2R,4R)-4-(phenylmethoxy)-2-pyrrolidinyl]ethyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-[(1R,2S)-1-[(2R,4R)-4-(Benzyloxy)-2-pyrrolidinyl]-3-(3,5-difluorophényl)-1-hydroxy-2-propanyl]-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-[(1R,2S)-1-[(2R,4R)-4-(Benzyloxy)-2-pyrrolidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide [ACD/IUPAC Name]
N'-[(1R,2S)-1-[(2R,4R)-4-(Benzyloxy)-2-pyrrolidinyl]-3-(3,5-difluorphenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-[(1R,2S)-1-[(2R,4R)-4-(benzyloxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
N'-[(1s,2r)-2-[(2r,4r)-4-(Benzyloxy)pyrrolidin-2-Yl]-1-(3,5-Difluorobenzyl)-2-Hydroxyethyl]-5-Methyl-N,N-Dipropylisophthalamide
CS7
N1-((1R,2S)-1-((2R,4R)-4-(benzyloxy)pyrrolidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 167.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 19.49
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 71.94
ACD/KOC (pH 7.4): 194.48
Polar Surface Area: 91 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 494.6±5.0 cm3

Click to predict properties on the Chemicalize site


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