ChemSpider 2D Image | SB-705498 | C17H16BrF3N4O

SB-705498

  • Molecular FormulaC17H16BrF3N4O
  • Average mass429.234 Da
  • Monoisotopic mass428.045959 Da
  • ChemSpider ID27474143

More details:

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

1-(2-Bromophenyl)-3-{1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl}urea [ACD/IUPAC Name]
1-(2-Bromophényl)-3-{1-[5-(trifluorométhyl)-2-pyridinyl]-3-pyrrolidinyl}urée [French] [ACD/IUPAC Name]
1-(2-Bromphenyl)-3-{1-[5-(trifluormethyl)-2-pyridinyl]-3-pyrrolidinyl}harnstoff [German] [ACD/IUPAC Name]
SB-705498
Urea, N-(2-bromophenyl)-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]- [ACD/Index Name]
1-(2-bromophenyl)-3-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)urea
1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
1-(2-BROMOPHENYL)-3-{1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PYRROLIDIN-3-YL}UREA
501951-42-4 [RN]
MFCD13152399
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 506.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.4±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 540.72
ACD/KOC (pH 5.5): 3051.82
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 601.36
ACD/KOC (pH 7.4): 3394.09
Polar Surface Area: 57 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 269.6±5.0 cm3

Click to predict properties on the Chemicalize site


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