ChemSpider 2D Image | 1-Cycloheptyl-1-[4-(4-fluorophenoxy)benzyl]-3-[6-methyl-2,4-bis(methylsulfonyl)-3-pyridinyl]urea | C29H34FN3O6S2

1-Cycloheptyl-1-[4-(4-fluorophenoxy)benzyl]-3-[6-methyl-2,4-bis(methylsulfonyl)-3-pyridinyl]urea

  • Molecular FormulaC29H34FN3O6S2
  • Average mass603.725 Da
  • Monoisotopic mass603.187317 Da
  • ChemSpider ID5293639

More details:

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

1-Cycloheptyl-1-[4-(4-fluorophenoxy)benzyl]-3-[6-methyl-2,4-bis(methylsulfonyl)-3-pyridinyl]urea [ACD/IUPAC Name]
1-Cycloheptyl-1-[4-(4-fluorophénoxy)benzyl]-3-[6-méthyl-2,4-bis(méthylsulfonyl)-3-pyridinyl]urée [French] [ACD/IUPAC Name]
1-cycloheptyl-1-[4-(4-fluorophenoxy)benzyl]-3-[6-methyl-2,4-bis(methylsulfonyl)pyridin-3-yl]urea
1-Cycloheptyl-1-[4-(4-fluorphenoxy)benzyl]-3-[6-methyl-2,4-bis(methylsulfonyl)-3-pyridinyl]harnstoff [German] [ACD/IUPAC Name]
215589-63-2 [RN]
Urea, N-cycloheptyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]-N'-[6-methyl-2,4-bis(methylsulfonyl)-3-pyridinyl]- [ACD/Index Name]
1-cycloheptyl-1-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[6-methyl-2,4-bis(methylsulfonyl)-3-pyridyl]urea
1-cycloheptyl-1-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[6-methyl-2,4-bis(methylsulfonyl)pyridin-3-yl]urea
1-cycloheptyl-3-(2,4-dimesyl-6-methyl-3-pyridyl)-1-[4-(4-fluorophenoxy)benzyl]urea
3-(2,4-Bis-methanesulfonyl-6-methyl-pyridin-3-yl)-1-cycloheptyl-1-[4-(4-fluoro-phenoxy)-benzyl]-urea
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1U8UW770Z6 [DBID]
FR-190809 [DBID]
UNII:1U8UW770Z6 [DBID]
UNII-1U8UW770Z6 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 842.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 463.2±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9756.07
ACD/KOC (pH 5.5): 24952.18
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9732.45
ACD/KOC (pH 7.4): 24891.77
Polar Surface Area: 140 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

Click to predict properties on the Chemicalize site


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