Found 18 results

Search term: MF = 'C_{40}H_{51}N_{3}O_{4}'
ChemSpider 2D Image | (2R,3S)-2-Isobutyl-N~1~-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-N~4~-[(2E)-4-phenyl-2-buten-1-yl]-3-propylsuccinamide | C40H51N3O4

(2R,3S)-2-Isobutyl-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-N4-[(2E)-4-phenyl-2-buten-1-yl]-3-propylsuccinamide

  • Molecular FormulaC40H51N3O4
  • Average mass637.851 Da
  • Monoisotopic mass637.387939 Da
  • ChemSpider ID23269686

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S)-2-(2-methylpropyl)-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)azepan-3-yl]-N4-[(2E)-4-phenylbut-2-en-1-yl]-3-propylbutanediamide
(2R,3S)-2-Isobutyl-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-N4-[(2E)-4-phenyl-2-buten-1-yl]-3-propylsuccinamid [German] [ACD/IUPAC Name]
(2R,3S)-2-Isobutyl-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-N4-[(2E)-4-phenyl-2-buten-1-yl]-3-propylsuccinamide [ACD/IUPAC Name]
(2R,3S)-2-Isobutyl-N1-[(3S)-2-oxo-1-(3-phénoxybenzyl)-3-azépanyl]-N4-[(2E)-4-phényl-2-butén-1-yl]-3-propylsuccinamide [French] [ACD/IUPAC Name]
Butanediamide, N1-[(3S)-hexahydro-2-oxo-1-[(3-phenoxyphenyl)methyl]-1H-azepin-3-yl]-2-(2-methylpropyl)-N4-[(2E)-4-phenyl-2-buten-1-yl]-3-propyl-, (2R,3S)- [ACD/Index Name]
(2R,3S)-N1-((S)-1-(3-phenoxy)benzyl)-2-oxoazepan-3-yl)-2-isobutyl-N4-((E)-4-phenylbut-2-enyl)-3-propylsuccinamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 852.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 469.3±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 189.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 110897.29
ACD/KOC (pH 5.5): 142145.41
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 110897.41
ACD/KOC (pH 7.4): 142145.56
Polar Surface Area: 88 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 559.4±5.0 cm3

Click to predict properties on the Chemicalize site


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