ChemSpider 2D Image | ATHPINACA isomer 1 | C24H31N3O2

ATHPINACA isomer 1

  • Molecular FormulaC24H31N3O2
  • Average mass393.522 Da
  • Monoisotopic mass393.241638 Da
  • ChemSpider ID68003936

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1400742-48-4 [RN]
1H-Indazole-3-carboxamide, 1-[(tetrahydro-2H-pyran-4-yl)methyl]-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
ATHPINACA isomer 1
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(tétrahydro-2H-pyran-4-ylméthyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
1-[(tetrahydro-2H-pyran-4-yl)methyl]-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.0±23.2 °C
Index of Refraction: 1.731
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 519.23
ACD/KOC (pH 5.5): 3056.75
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 519.23
ACD/KOC (pH 7.4): 3056.70
Polar Surface Area: 56 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 277.0±7.0 cm3

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