ChemSpider 2D Image | 4-(2-Amino-5-{4-[(dimethylamino)methyl]-2-thienyl}-3-pyridinyl)-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide | C28H27F3N4O2S

4-(2-Amino-5-{4-[(dimethylamino)methyl]-2-thienyl}-3-pyridinyl)-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide

  • Molecular FormulaC28H27F3N4O2S
  • Average mass540.600 Da
  • Monoisotopic mass540.180664 Da
  • ChemSpider ID28519992
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-(2-Amino-5-{4-[(dimethylamino)methyl]-2-thienyl}-3-pyridinyl)-2-{(1R)-1-[2-(trifluormethyl)phenyl]ethoxy}benzamid [German] [ACD/IUPAC Name]
4-(2-Amino-5-{4-[(dimethylamino)methyl]-2-thienyl}-3-pyridinyl)-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide [ACD/IUPAC Name]
4-(2-Amino-5-{4-[(diméthylamino)méthyl]-2-thiényl}-3-pyridinyl)-2-{(1R)-1-[2-(trifluorométhyl)phényl]éthoxy}benzamide [French] [ACD/IUPAC Name]
4-(2-Amino-5-{4-[(Dimethylamino)methyl]thiophen-2-Yl}pyridin-3-Yl)-2-{(1r)-1-[2-(Trifluoromethyl)phenyl]ethoxy}benzamide
Benzamide, 4-[2-amino-5-[4-[(dimethylamino)methyl]-2-thienyl]-3-pyridinyl]-2-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]- [ACD/Index Name]
JUP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 609.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.5±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 13.68
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 131.41
ACD/KOC (pH 7.4): 454.82
Polar Surface Area: 123 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

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