ChemSpider 2D Image | N,N-Diethyl-2-[({2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetyl){[4'-(trifluoromethyl)-4-biphenylyl]methyl}amino]ethanaminium | C36H39F4N4O2S

N,N-Diethyl-2-[({2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetyl){[4'-(trifluoromethyl)-4-biphenylyl]methyl}amino]ethanaminium

  • Molecular FormulaC36H39F4N4O2S
  • Average mass667.779 Da
  • Monoisotopic mass667.272461 Da
  • ChemSpider ID21235069

  • Charge - Charge

More details:

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

1H-Cyclopenta[d]pyrimidine-1-acetamide, N-[2-(diethylamino)ethyl]-2-[[(4-fluorophenyl)methyl]thio]-4,5,6,7-tetrahydro-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-, conjugate monoacid [ACD/Index Name]
N,N-Diethyl-2-[({2-[(4-fluorbenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetyl){[4'-(trifluormethyl)-4-biphenylyl]methyl}amino]ethanaminium [German] [ACD/IUPAC Name]
N,N-Diethyl-2-[({2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acetyl){[4'-(trifluoromethyl)-4-biphenylyl]methyl}amino]ethanaminium [ACD/IUPAC Name]
N,N-Diéthyl-2-[(2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tétrahydro-1H-cyclopenta[d]pyrimidin-1-yl}acétyl){[4'-(trifluorométhyl)-4-biphénylyl]méthyl}amino]éthanaminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 741.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 194.80
ACD/KOC (pH 5.5): 222.67
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 4990.67
ACD/KOC (pH 7.4): 5704.60
Polar Surface Area: 83 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement