Found 11 results

Search term: C35H47FN4O2 (Found by molecular formula)
ChemSpider 2D Image | N-[1-(4-{[4-(3-Benzyl-1-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]methyl}-3-fluorophenyl)cyclopentyl]-N-methyl-D-valine | C35H47FN4O2

N-[1-(4-{[4-(3-Benzyl-1-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]methyl}-3-fluorophenyl)cyclopentyl]-N-methyl-D-valine

  • Molecular FormulaC35H47FN4O2
  • Average mass574.772 Da
  • Monoisotopic mass574.368286 Da
  • ChemSpider ID28476936

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Valine, N-[1-[4-[[4-[1-ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-3-fluorophenyl]cyclopentyl]-N-methyl- [ACD/Index Name]
N-[1-(4-{[4-(3-Benzyl-1-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]methyl}-3-fluorophenyl)cyclopentyl]-N-methyl-D-valine [ACD/IUPAC Name]
N-[1-(4-{[4-(3-Benzyl-1-éthyl-1H-pyrazol-5-yl)-1-pipéridinyl]méthyl}-3-fluorophényl)cyclopentyl]-N-méthyl-D-valine [French] [ACD/IUPAC Name]
N-[1-(4-{[4-(3-Benzyl-1-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]methyl}-3-fluorphenyl)cyclopentyl]-N-methyl-D-valin [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 167.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 9.01
ACD/KOC (pH 5.5): 17.26
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 34.11
ACD/KOC (pH 7.4): 65.32
Polar Surface Area: 62 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 488.9±7.0 cm3

Click to predict properties on the Chemicalize site


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