Found 250 results

Search term: MF = 'C_{29}H_{34}ClFN_{4}O_{2}'
ChemSpider 2D Image | 3-(3-Chloro-4-fluorophenyl)-1-[(3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-1-{2-[(2S)-2-(hydroxymethyl)-5-methyl-1-pyrrolidinyl]ethyl}urea | C29H34ClFN4O2

3-(3-Chloro-4-fluorophenyl)-1-[(3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-1-{2-[(2S)-2-(hydroxymethyl)-5-methyl-1-pyrrolidinyl]ethyl}urea

  • Molecular FormulaC29H34ClFN4O2
  • Average mass525.057 Da
  • Monoisotopic mass524.235413 Da
  • ChemSpider ID23284380

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3-(3-Chlor-4-fluorphenyl)-1-[(3R,6S)-6-(3-cyanphenyl)bicyclo[4.1.0]hept-3-yl]-1-{2-[(2S)-2-(hydroxymethyl)-5-methyl-1-pyrrolidinyl]ethyl}harnstoff [German] [ACD/IUPAC Name]
3-(3-Chloro-4-fluorophenyl)-1-[(3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-1-{2-[(2S)-2-(hydroxymethyl)-5-methyl-1-pyrrolidinyl]ethyl}urea [ACD/IUPAC Name]
3-(3-Chloro-4-fluorophényl)-1-[(3R,6S)-6-(3-cyanophényl)bicyclo[4.1.0]hept-3-yl]-1-{2-[(2S)-2-(hydroxyméthyl)-5-méthyl-1-pyrrolidinyl]éthyl}urée [French] [ACD/IUPAC Name]
3-(3-chloro-4-fluorophenyl)-1-[(3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-1-{2-[(2S)-2-(hydroxymethyl)-5-methylpyrrolidin-1-yl]ethyl}urea
Urea, N'-(3-chloro-4-fluorophenyl)-N-[(3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]hept-3-yl]-N-[2-[(2S)-2-(hydroxymethyl)-5-methyl-1-pyrrolidinyl]ethyl]- [ACD/Index Name]
3-(3-chloro-4-fluorophenyl)-1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(2-((2S)-2-(hydroxymethyl)-5-methylpyrrolidin-1-yl)ethyl)urea
CHEMBL229223

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

Density: 1.3±0.0 g/cm3
Boiling Point: 702.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 108.0±0.0 kJ/mol
Flash Point: 378.7±0.0 °C
Index of Refraction: 1.636
Molar Refractivity: 141.9±0.0 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 56.68
ACD/KOC (pH 5.5): 110.79
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 2636.33
ACD/KOC (pH 7.4): 5152.79
Polar Surface Area: 80 Å2
Polarizability: 56.3±0.0 10-24cm3
Surface Tension: 62.7±0.0 dyne/cm
Molar Volume: 395.8±0.0 cm3

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