ChemSpider 2D Image | 3-(3-Chlorophenyl)-1-isopropyl-1-[(4-{[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}-1,3-thiazol-2-yl)methyl]urea | C25H33ClN4O2S

3-(3-Chlorophenyl)-1-isopropyl-1-[(4-{[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}-1,3-thiazol-2-yl)methyl]urea

  • Molecular FormulaC25H33ClN4O2S
  • Average mass489.073 Da
  • Monoisotopic mass488.201263 Da
  • ChemSpider ID62579573

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(3-Chlorophenyl)-1-isopropyl-1-[(4-{[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}-1,3-thiazol-2-yl)methyl]urea [ACD/IUPAC Name]
3-(3-Chlorophényl)-1-isopropyl-1-[(4-{[(1S,5R)-1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}-1,3-thiazol-2-yl)méthyl]urée [French] [ACD/IUPAC Name]
3-(3-Chlorphenyl)-1-isopropyl-1-[(4-{[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}-1,3-thiazol-2-yl)methyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N'-(3-chlorophenyl)-N-(1-methylethyl)-N-[[4-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl]-2-thiazolyl]methyl]- [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: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.2±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4014.64
ACD/KOC (pH 5.5): 13215.40
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4014.69
ACD/KOC (pH 7.4): 13215.56
Polar Surface Area: 94 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 389.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement