ChemSpider 2D Image | N-{[3-(Diethylamino)-4'-(trifluoromethyl)-4-biphenylyl]methyl}-N-ethyl-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetamide | C36H38F4N4O2S

N-{[3-(Diethylamino)-4'-(trifluoromethyl)-4-biphenylyl]methyl}-N-ethyl-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetamide

  • Molecular FormulaC36H38F4N4O2S
  • Average mass666.771 Da
  • Monoisotopic mass666.265137 Da
  • ChemSpider ID9529291

More details:

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

1H-Cyclopenta[d]pyrimidine-1-acetamide, N-[[3-(diethylamino)-4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-N-ethyl-2-[[(4-fluorophenyl)methyl]thio]-4,5,6,7-tetrahydro-4-oxo- [ACD/Index Name]
N-{[3-(Diethylamino)-4'-(trifluormethyl)-4-biphenylyl]methyl}-N-ethyl-2-{2-[(4-fluorbenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetamid [German] [ACD/IUPAC Name]
N-{[3-(Diethylamino)-4'-(trifluoromethyl)-4-biphenylyl]methyl}-N-ethyl-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetamide [ACD/IUPAC Name]
N-{[3-(Diéthylamino)-4'-(trifluorométhyl)-4-biphénylyl]méthyl}-N-éthyl-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tétrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acétamide [French] [ACD/IUPAC 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: 757.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 411.9±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 179.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 62419.33
ACD/KOC (pH 5.5): 65744.68
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 214359.11
ACD/KOC (pH 7.4): 225778.97
Polar Surface Area: 82 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 528.7±7.0 cm3

Click to predict properties on the Chemicalize site


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