ChemSpider 2D Image | {5-[(Adamantan-2-ylmethyl)amino]-1-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl}(4-methyl-1-piperazinyl)methanone | C26H41N5O

{5-[(Adamantan-2-ylmethyl)amino]-1-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl}(4-methyl-1-piperazinyl)methanone

  • Molecular FormulaC26H41N5O
  • Average mass439.637 Da
  • Monoisotopic mass439.331116 Da
  • ChemSpider ID22207476

More details:

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

{5-[(Adamantan-2-ylmethyl)amino]-1-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl}(4-methyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
{5-[(Adamantan-2-ylmethyl)amino]-1-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl}(4-methyl-1-piperazinyl)methanone [ACD/IUPAC Name]
{5-[(Adamantan-2-ylméthyl)amino]-1-éthyl-4,5,6,7-tétrahydro-1H-indazol-3-yl}(4-méthyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-ethyl-4,5,6,7-tetrahydro-5-[(tricyclo[3.3.1.13,7]dec-2-ylmethyl)amino]-1H-indazol-3-yl](4-methyl-1-piperazinyl)- [ACD/Index Name]
N-(2-adamantylmethyl)-1-ethyl-3-[(4-methyl-1-piperazinyl)carbonyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 626.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 125.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.38
Polar Surface Area: 53 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 317.0±7.0 cm3

Click to predict properties on the Chemicalize site


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