ChemSpider 2D Image | (1s,4r)-4-[(2-Methyl-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}propanoyl)amino]-1-adamantanecarboxamide | C25H34F3N5O2

(1s,4r)-4-[(2-Methyl-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}propanoyl)amino]-1-adamantanecarboxamide

  • Molecular FormulaC25H34F3N5O2
  • Average mass493.565 Da
  • Monoisotopic mass493.266449 Da
  • ChemSpider ID58827790

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(1s,4r)-4-[(2-Methyl-2-{4-[5-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}propanoyl)amino]-1-adamantancarboxamid [German] [ACD/IUPAC Name]
(1s,4r)-4-[(2-Methyl-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}propanoyl)amino]-1-adamantanecarboxamide [ACD/IUPAC Name]
(1s,4r)-4-[(2-Méthyl-2-{4-[5-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}propanoyl)amino]-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
1-Piperazineacetamide, N-[5-(aminocarbonyl)tricyclo[3.3.1.13,7]dec-2-yl]-α,α-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
868623-40-9 [RN]
ABT-384
UNII:R5TH77F919

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.7±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 52.09
ACD/KOC (pH 5.5): 419.71
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.29
ACD/KOC (pH 7.4): 1347.88
Polar Surface Area: 92 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 369.5±5.0 cm3

Click to predict properties on the Chemicalize site


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