ChemSpider 2D Image | (3S,3aR,6aS)-3-(4-Bromophenyl)-N-(2,2-dimethylpropanoyl)-2-methylhexahydro-3aH-cyclopenta[d][1,2]oxazole-3a-carboxamide | C19H25BrN2O3

(3S,3aR,6aS)-3-(4-Bromophenyl)-N-(2,2-dimethylpropanoyl)-2-methylhexahydro-3aH-cyclopenta[d][1,2]oxazole-3a-carboxamide

  • Molecular FormulaC19H25BrN2O3
  • Average mass409.317 Da
  • Monoisotopic mass408.104858 Da
  • ChemSpider ID30651732

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3aR,6aS)-3-(4-Bromophenyl)-N-(2,2-dimethylpropanoyl)-2-methylhexahydro-3aH-cyclopenta[d][1,2]oxazole-3a-carboxamide [ACD/IUPAC Name]
(3S,3aR,6aS)-3-(4-Bromophényl)-N-(2,2-diméthylpropanoyl)-2-méthylhexahydro-3aH-cyclopenta[d][1,2]oxazole-3a-carboxamide [French] [ACD/IUPAC Name]
(3S,3aR,6aS)-3-(4-Bromphenyl)-N-(2,2-dimethylpropanoyl)-2-methylhexahydro-3aH-cyclopenta[d][1,2]oxazol-3a-carboxamid [German] [ACD/IUPAC Name]
3aH-Cyclopent[d]isoxazole-3a-carboxamide, 3-(4-bromophenyl)-N-(2,2-dimethyl-1-oxopropyl)hexahydro-2-methyl-, (3S,3aR,6aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.06
ACD/KOC (pH 5.5): 675.88
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.06
ACD/KOC (pH 7.4): 675.91
Polar Surface Area: 59 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 303.4±3.0 cm3

Click to predict properties on the Chemicalize site


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