ChemSpider 2D Image | N'-[(1S,2S)-1-[(2R)-4-Benzyl-2-piperazinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide | C35H44F2N4O3

N'-[(1S,2S)-1-[(2R)-4-Benzyl-2-piperazinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide

  • Molecular FormulaC35H44F2N4O3
  • Average mass606.746 Da
  • Monoisotopic mass606.338135 Da
  • ChemSpider ID9881786

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N3-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2R)-4-(phenylmethyl)-2-piperazinyl]ethyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-[(1S,2S)-1-[(2R)-4-Benzyl-2-pipérazinyl]-3-(3,5-difluorophényl)-1-hydroxy-2-propanyl]-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-[(1S,2S)-1-[(2R)-4-Benzyl-2-piperazinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide [ACD/IUPAC Name]
N'-[(1S,2S)-1-[(2R)-4-Benzyl-2-piperazinyl]-3-(3,5-difluorphenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Z75

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 397.9±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 169.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 9.69
ACD/KOC (pH 5.5): 32.89
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 476.18
ACD/KOC (pH 7.4): 1616.48
Polar Surface Area: 85 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 513.3±3.0 cm3

Click to predict properties on the Chemicalize site


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