ChemSpider 2D Image | N'-[(2S,3R)-3-Hydroxy-4-{[2-(3-methoxyphenyl)-2-propanyl]amino}-1-phenyl-2-butanyl]-5-(1-piperidinyl)-N,N-dipropylisophthalamide | C39H54N4O4

N'-[(2S,3R)-3-Hydroxy-4-{[2-(3-methoxyphenyl)-2-propanyl]amino}-1-phenyl-2-butanyl]-5-(1-piperidinyl)-N,N-dipropylisophthalamide

  • Molecular FormulaC39H54N4O4
  • Average mass642.870 Da
  • Monoisotopic mass642.414490 Da
  • ChemSpider ID34254482

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N3-[(1S,2R)-2-hydroxy-3-[[1-(3-methoxyphenyl)-1-methylethyl]amino]-1-(phenylmethyl)propyl]-5-(1-piperidinyl)-N1,N1-dipropyl- [ACD/Index Name]
N'-[(2S,3R)-3-Hydroxy-4-{[2-(3-méthoxyphényl)-2-propanyl]amino}-1-phényl-2-butanyl]-5-(1-pipéridinyl)-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-[(2S,3R)-3-Hydroxy-4-{[2-(3-methoxyphenyl)-2-propanyl]amino}-1-phenyl-2-butanyl]-5-(1-piperidinyl)-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-[(2S,3R)-3-Hydroxy-4-{[2-(3-methoxyphenyl)-2-propanyl]amino}-1-phenyl-2-butanyl]-5-(1-piperidinyl)-N,N-dipropylisophthalamide [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 834.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 458.7±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 189.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 14.59
ACD/KOC (pH 5.5): 42.07
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 702.20
ACD/KOC (pH 7.4): 2025.30
Polar Surface Area: 94 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 575.7±3.0 cm3

Click to predict properties on the Chemicalize site


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