ChemSpider 2D Image | 2-({[4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C16H17F3N4O3S

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

  • Molecular FormulaC16H17F3N4O3S
  • Average mass402.391 Da
  • Monoisotopic mass402.097351 Da
  • ChemSpider ID26380474

More details:

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

1H-Pyrazole-1-acetamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-4-(hydroxymethyl)-3-(trifluoromethyl)- [ACD/Index Name]
2-({[4-(Hydroxymethyl)-3-(trifluormethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
2-({[4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
2-({2-[4-(Hydroxyméthyl)-3-(trifluorométhyl)-1H-pyrazol-1-yl]acétyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
1001019-46-0 [RN]
2-[[2-[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
JAMI1001A

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

496 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 585.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 308.0±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.67
ACD/KOC (pH 5.5): 189.47
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.66
ACD/KOC (pH 7.4): 189.41
Polar Surface Area: 138 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 242.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement