ChemSpider 2D Image | N~2~-[4-(Cyclopropylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yl]-N-{2-[(2-methyl-2-propanyl)amino]ethyl}-N-{[3-(trifluoromethyl)-2-pyridinyl]methyl}glycinamide | C28H38F3N5O2

N2-[4-(Cyclopropylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yl]-N-{2-[(2-methyl-2-propanyl)amino]ethyl}-N-{[3-(trifluoromethyl)-2-pyridinyl]methyl}glycinamide

  • Molecular FormulaC28H38F3N5O2
  • Average mass533.629 Da
  • Monoisotopic mass533.297729 Da
  • ChemSpider ID128986013

More details:

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

Acetamide, 2-[[4-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yl]amino]-N-[2-[(1,1-dimethylethyl)amino]ethyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]- [ACD/Index Name]
N2-[4-(Cyclopropylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yl]-N-{2-[(2-methyl-2-propanyl)amino]ethyl}-N-{[3-(trifluormethyl)-2-pyridinyl]methyl}glycinamid [German] [ACD/IUPAC Name]
N2-[4-(Cyclopropylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-yl]-N-{2-[(2-methyl-2-propanyl)amino]ethyl}-N-{[3-(trifluoromethyl)-2-pyridinyl]methyl}glycinamide [ACD/IUPAC Name]
N2-[4-(Cyclopropylméthyl)-2,3,4,5-tétrahydro-1,4-benzoxazépin-6-yl]-N-{2-[(2-méthyl-2-propanyl)amino]éthyl}-N-{[3-(trifluorométhyl)-2-pyridinyl]méthyl}glycinamide [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: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 13.27
Polar Surface Area: 70 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 435.2±3.0 cm3

Click to predict properties on the Chemicalize site


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