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

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

  • Molecular FormulaC36H38F4N4O2S
  • Average mass666.771 Da
  • Monoisotopic mass666.265137 Da
  • ChemSpider ID8321930

More details:

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

1H-Cyclopenta[d]pyrimidine-1-acetamide, N-[2-[(1,1-dimethylethyl)amino]ethyl]-2-[[(4-fluorophenyl)methyl]thio]-4,5,6,7-tetrahydro-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
2-{2-[(4-Fluorbenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{2-[(2-methyl-2-propanyl)amino]ethyl}-N-{[4'-(trifluormethyl)-4-biphenylyl]methyl}acetamid [German] [ACD/IUPAC Name]
2-{2-[(4-Fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{2-[(2-methyl-2-propanyl)amino]ethyl}-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide [ACD/IUPAC Name]
2-{2-[(4-Fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tétrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{2-[(2-méthyl-2-propanyl)amino]éthyl}-N-{[4'-(trifluorométhyl)-4-biphénylyl]méthyl}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: 747.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.6±35.7 °C
Index of Refraction: 1.594
Molar Refractivity: 179.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 148.50
ACD/KOC (pH 5.5): 188.80
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 4510.22
ACD/KOC (pH 7.4): 5734.26
Polar Surface Area: 90 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 528.0±7.0 cm3

Click to predict properties on the Chemicalize site


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