ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C23H30F3N5O2S

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

  • Molecular FormulaC23H30F3N5O2S
  • Average mass497.577 Da
  • Monoisotopic mass497.207245 Da
  • ChemSpider ID25060822

More details:






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

1H-Indazole-1-acetamide, N-[3-[[[2-(dimethylamino)ethyl]amino]carbonyl]-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-4,5,6,7-tetrahydro-3-(trifluoromethyl)- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-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-[2-(Dimethylamino)ethyl]-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-[2-(Diméthylamino)éthyl]-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]
O29

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.6±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 124.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 6.53
ACD/KOC (pH 5.5): 32.02
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 313.84
ACD/KOC (pH 7.4): 1538.89
Polar Surface Area: 108 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 345.5±7.0 cm3

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