ChemSpider 2D Image | N-(3-Aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C22H28F3N5O2S

N-(3-Aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC22H28F3N5O2S
  • Average mass483.550 Da
  • Monoisotopic mass483.191589 Da
  • ChemSpider ID25058307

More details:

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

1H-Indazole-1-acetamide, N-[3-[[(3-aminopropyl)amino]carbonyl]-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-4,5,6,7-tetrahydro-3-(trifluoromethyl)- [ACD/Index Name]
N-(3-Aminopropyl)-2-({[3-(trifluormethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
N-(3-Aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
N-(3-Aminopropyl)-2-({2-[3-(trifluorométhyl)-4,5,6,7-tétrahydro-1H-indazol-1-yl]acétyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 641.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.7±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 12.99
Polar Surface Area: 130 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 317.2±7.0 cm3

Click to predict properties on the Chemicalize site


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