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Search term: YMFDSPVIOOOQTH-HXUWFJFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R)-N-[2-(4-Cyanophenyl)ethyl]-1-[6-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)-4-pyrimidinyl]-3-piperidinecarboxamide | C25H30F3N7O

(3R)-N-[2-(4-Cyanophenyl)ethyl]-1-[6-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)-4-pyrimidinyl]-3-piperidinecarboxamide

  • Molecular FormulaC25H30F3N7O
  • Average mass501.547 Da
  • Monoisotopic mass501.246399 Da
  • ChemSpider ID34237743

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-N-[2-(4-Cyanophenyl)ethyl]-1-[6-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)-4-pyrimidinyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R)-N-[2-(4-Cyanophényl)éthyl]-1-[6-(4-méthyl-1-pipérazinyl)-2-(trifluorométhyl)-4-pyrimidinyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3R)-N-[2-(4-Cyanphenyl)ethyl]-1-[6-(4-methyl-1-piperazinyl)-2-(trifluormethyl)-4-pyrimidinyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-[2-(4-cyanophenyl)ethyl]-1-[6-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)-4-pyrimidinyl]-, (3R)- [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: 684.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 368.0±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 11.50
ACD/KOC (pH 7.4): 140.63
Polar Surface Area: 88 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 373.9±5.0 cm3

Click to predict properties on the Chemicalize site


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