ChemSpider 2D Image | N-[(2S,3R)-4-{[2-(2,2-Dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenyl-2-butanyl]acetamide | C26H40N4O2

N-[(2S,3R)-4-{[2-(2,2-Dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenyl-2-butanyl]acetamide

  • Molecular FormulaC26H40N4O2
  • Average mass440.621 Da
  • Monoisotopic mass440.315125 Da
  • ChemSpider ID28661771

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acetamide, N-[(1S,2R)-3-[[2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-6,6-dimethyl-2H-indazol-4-yl]amino]-2-hydroxy-1-(phenylmethyl)propyl]- [ACD/Index Name]
N-[(2S,3R)-4-{[2-(2,2-Dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenyl-2-butanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-4-{[2-(2,2-Dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenyl-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-4-{[2-(2,2-Diméthylpropyl)-6,6-diméthyl-4,5,6,7-tétrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phényl-2-butanyl]acétamide [French] [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: 655.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.3±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 13.46
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 123.18
ACD/KOC (pH 7.4): 687.27
Polar Surface Area: 79 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 390.3±7.0 cm3

Click to predict properties on the Chemicalize site


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