ChemSpider 2D Image | 5-Methyl-3-phenyl-N-{[(1R,5R)-1,3,3-trimethyl-5-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}cyclohexyl]methyl}-1,2-oxazole-4-carboxamide | C32H36N4O4

5-Methyl-3-phenyl-N-{[(1R,5R)-1,3,3-trimethyl-5-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}cyclohexyl]methyl}-1,2-oxazole-4-carboxamide

  • Molecular FormulaC32H36N4O4
  • Average mass540.653 Da
  • Monoisotopic mass540.273682 Da
  • ChemSpider ID7817727

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Isoxazolecarboxamide, 5-methyl-3-phenyl-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]cyclohexyl]methyl]- [ACD/Index Name]
5-Methyl-3-phenyl-N-{[(1R,5R)-1,3,3-trimethyl-5-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}cyclohexyl]methyl}-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Methyl-3-phenyl-N-{[(1R,5R)-1,3,3-trimethyl-5-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}cyclohexyl]methyl}-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
5-Méthyl-3-phényl-N-{[(1R,5R)-1,3,3-triméthyl-5-{[(5-méthyl-3-phényl-1,2-oxazol-4-yl)carbonyl]amino}cyclohexyl]méthyl}-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]

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

ZINC08432209 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3085.77
ACD/KOC (pH 5.5): 10946.64
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3085.76
ACD/KOC (pH 7.4): 10946.63
Polar Surface Area: 110 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

Click to predict properties on the Chemicalize site


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