ChemSpider 2D Image | N-(2-Furylmethyl)-3-({4-[methyl(propyl)amino]-6-(trifluoromethyl)-2-pyrimidinyl}sulfanyl)propanamide | C17H21F3N4O2S

N-(2-Furylmethyl)-3-({4-[methyl(propyl)amino]-6-(trifluoromethyl)-2-pyrimidinyl}sulfanyl)propanamide

  • Molecular FormulaC17H21F3N4O2S
  • Average mass402.434 Da
  • Monoisotopic mass402.133728 Da
  • ChemSpider ID88296672

More details:

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

N-(2-Furylmethyl)-3-({4-[methyl(propyl)amino]-6-(trifluormethyl)-2-pyrimidinyl}sulfanyl)propanamid [German] [ACD/IUPAC Name]
N-(2-Furylmethyl)-3-({4-[methyl(propyl)amino]-6-(trifluoromethyl)-2-pyrimidinyl}sulfanyl)propanamide [ACD/IUPAC Name]
N-(2-Furylméthyl)-3-({4-[méthyl(propyl)amino]-6-(trifluorométhyl)-2-pyrimidinyl}sulfanyl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(2-furanylmethyl)-3-[[4-(methylpropylamino)-6-(trifluoromethyl)-2-pyrimidinyl]thio]- [ACD/Index Name]
2313525-20-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4519204/
N-(Furan-2-ylmethyl)-3-((4-(N'-methyl-N'-propylamino)-6-(trifluoromethyl)-pyrimidin-2-yl)thio)-propanamide.
N-(furan-2-ylmethyl)-3-({4-[methyl(propyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)propanamide
N-(furan-2-ylmethyl)-3-[4-[methyl(propyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
N-[(furan-2-yl)methyl]-3-({4-[methyl(propyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)propanamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 567.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.8±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 350.55
ACD/KOC (pH 5.5): 2307.39
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.59
ACD/KOC (pH 7.4): 2307.68
Polar Surface Area: 97 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 304.8±5.0 cm3

Click to predict properties on the Chemicalize site


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