ChemSpider 2D Image | N-{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)-4-piperidinyl}-N-(2-fluorophenyl)propanamide | C22H28FN7O2S

N-{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)-4-piperidinyl}-N-(2-fluorophenyl)propanamide

  • Molecular FormulaC22H28FN7O2S
  • Average mass473.567 Da
  • Monoisotopic mass473.200928 Da
  • ChemSpider ID23174465

More details:

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

N-{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)-4-piperidinyl}-N-(2-fluorophenyl)propanamide [ACD/IUPAC Name]
N-{1-[2-(4-Éthyl-5-oxo-4,5-dihydro-1H-tétrazol-1-yl)éthyl]-4-(1,3-thiazol-2-yl)-4-pipéridinyl}-N-(2-fluorophényl)propanamide [French] [ACD/IUPAC Name]
N-{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)-4-piperidinyl}-N-(2-fluorphenyl)propanamid [German] [ACD/IUPAC Name]
N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl}-N-(2-fluorophenyl)propanamide
propanamide, N-[1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-(2-thiazolyl)-4-piperidinyl]-N-(2-fluorophenyl)- [ACD/Index Name]
N-{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-tetrazol-1-yl)-ethyl]-4-thiazol-2-yl-piperidin-4-yl}-N-(2-fluoro-phenyl)-propionamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.1±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 54.15
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 50.27
ACD/KOC (pH 7.4): 554.38
Polar Surface Area: 113 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 345.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement