ChemSpider 2D Image | 1-[(1R,2r,3S,5S,7S)-Adamantan-2-yl]-3-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)-1-pyrazolidinyl]-1-oxo-2-propanyl}urea | C29H34ClFN4O2

1-[(1R,2r,3S,5S,7S)-Adamantan-2-yl]-3-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)-1-pyrazolidinyl]-1-oxo-2-propanyl}urea

  • Molecular FormulaC29H34ClFN4O2
  • Average mass525.057 Da
  • Monoisotopic mass524.235413 Da
  • ChemSpider ID35033484

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-[(1R,2r,3S,5S,7S)-Adamantan-2-yl]-3-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)-1-pyrazolidinyl]-1-oxo-2-propanyl}urea [ACD/IUPAC Name]
1-[(1R,2r,3S,5S,7S)-Adamantan-2-yl]-3-{(2S)-1-[(3R)-3-(2-chlorophényl)-2-(2-fluorophényl)-1-pyrazolidinyl]-1-oxo-2-propanyl}urée [French] [ACD/IUPAC Name]
1-[(1R,2r,3S,5S,7S)-Adamantan-2-yl]-3-{(2S)-1-[(3R)-3-(2-chlorphenyl)-2-(2-fluorphenyl)-1-pyrazolidinyl]-1-oxo-2-propanyl}harnstoff [German] [ACD/IUPAC Name]
1-{(2s)-1-[(3r)-3-(2-Chlorophenyl)-2-(2-Fluorophenyl)pyrazolidin-1-Yl]-1-Oxopropan-2-Yl}-3-[(1r,3s,5r,7r)-Tricyclo[3.3.1.13,7]dec-2-Yl]urea
Urea, N-[(1S)-2-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)-1-pyrazolidinyl]-1-methyl-2-oxoethyl]-N'-tricyclo[3.3.1.13,7]dec-2-yl- [ACD/Index Name]
0W2

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 142.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2990.24
ACD/KOC (pH 5.5): 10702.75
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2990.32
ACD/KOC (pH 7.4): 10703.04
Polar Surface Area: 65 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 392.3±5.0 cm3

Click to predict properties on the Chemicalize site


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