Found 1 result

Search term: CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)NC)c2C1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (5S)-N-Methyl-5-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide | C14H23N3O

(5S)-N-Methyl-5-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

  • Molecular FormulaC14H23N3O
  • Average mass249.352 Da
  • Monoisotopic mass249.184113 Da
  • ChemSpider ID35034606

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-N-Methyl-5-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-2H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
(5S)-N-Methyl-5-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide [ACD/IUPAC Name]
(5S)-N-Méthyl-5-(2-méthyl-2-butanyl)-4,5,6,7-tétrahydro-2H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
(5s)-N-Methyl-5-(2-Methylbutan-2-Yl)-4,5,6,7-Tetrahydro-2h-Indazole-3-Carboxamide
2H-Indazole-3-carboxamide, 5-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-N-methyl-, (5S)- [ACD/Index Name]
X19

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

Density: 1.1±0.1 g/cm3
Boiling Point: 416.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.6±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.54
ACD/KOC (pH 5.5): 543.76
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.54
ACD/KOC (pH 7.4): 543.83
Polar Surface Area: 58 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 230.9±3.0 cm3

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