Found 250 results

Search term: MF = 'C_{29}H_{34}ClFN_{4}O_{2}'
ChemSpider 2D Image | 3-(3-Chloro-4-fluorophenyl)-1-[(6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-1-[2-(4-methoxy-1-piperidinyl)ethyl]urea | C29H34ClFN4O2

3-(3-Chloro-4-fluorophenyl)-1-[(6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-1-[2-(4-methoxy-1-piperidinyl)ethyl]urea

  • Molecular FormulaC29H34ClFN4O2
  • Average mass525.057 Da
  • Monoisotopic mass524.235413 Da
  • ChemSpider ID26349097

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3-(3-Chlor-4-fluorphenyl)-1-[(6S)-6-(3-cyanphenyl)bicyclo[4.1.0]hept-3-yl]-1-[2-(4-methoxy-1-piperidinyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
3-(3-Chloro-4-fluorophenyl)-1-[(6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-1-[2-(4-methoxy-1-piperidinyl)ethyl]urea [ACD/IUPAC Name]
3-(3-Chloro-4-fluorophényl)-1-[(6S)-6-(3-cyanophényl)bicyclo[4.1.0]hept-3-yl]-1-[2-(4-méthoxy-1-pipéridinyl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N'-(3-chloro-4-fluorophenyl)-N-[(6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-N-[2-(4-methoxy-1-piperidinyl)ethyl]- [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: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 83.46
ACD/KOC (pH 5.5): 216.29
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 3688.68
ACD/KOC (pH 7.4): 9559.57
Polar Surface Area: 69 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 403.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement