ChemSpider 2D Image | N-{(1S)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-(2-furylmethyl)cyclohexanecarboxamide | C28H38ClN3O5

N-{(1S)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-(2-furylmethyl)cyclohexanecarboxamide

  • Molecular FormulaC28H38ClN3O5
  • Average mass532.071 Da
  • Monoisotopic mass531.250000 Da
  • ChemSpider ID62537549

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, 2-chloro-α-[(cyclohexylcarbonyl)(2-furanylmethyl)amino]-5-nitro-N-(1,1,3,3-tetramethylbutyl)-, (αS)- [ACD/Index Name]
N-{(1S)-1-(2-Chlor-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-(2-furylmethyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-{(1S)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-(2-furylmethyl)cyclohexanecarboxamide [ACD/IUPAC Name]
N-{(1S)-1-(2-Chloro-5-nitrophényl)-2-oxo-2-[(2,4,4-triméthyl-2-pentanyl)amino]éthyl}-N-(2-furylméthyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 369.9±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17168.93
ACD/KOC (pH 5.5): 37395.20
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17168.93
ACD/KOC (pH 7.4): 37395.20
Polar Surface Area: 108 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 444.8±3.0 cm3

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