ChemSpider 2D Image | N-[(3R)-3-Pyrrolidinyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C23H28F3N5O2S

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

  • Molecular FormulaC23H28F3N5O2S
  • Average mass495.561 Da
  • Monoisotopic mass495.191589 Da
  • ChemSpider ID25060680

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indazole-1-acetamide, 4,5,6,7-tetrahydro-N-[4,5,6,7-tetrahydro-3-[[(3R)-3-pyrrolidinylamino]carbonyl]benzo[b]thien-2-yl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[(3R)-3-Pyrrolidinyl]-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-[(3R)-3-Pyrrolidinyl]-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-[(3R)-3-Pyrrolidinyl]-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]
N-[(3r)-Pyrrolidin-3-Yl]-2-({[3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazol-1-Yl]acetyl}amino)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 651.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.48
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 10.86
ACD/KOC (pH 7.4): 53.20
Polar Surface Area: 116 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 312.6±7.0 cm3

Click to predict properties on the Chemicalize site


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