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ChemSpider 2D Image | APP-CHMINACA RM | C24H28N4O2


  • Molecular FormulaC24H28N4O2
  • Average mass404.505 Da
  • Monoisotopic mass404.221222 Da
  • ChemSpider ID48063640
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1185887-14-2 [RN]
1H-Indazole-3-carboxamide, N-[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-1-(cyclohexylmethyl)- [ACD/Index Name]
Nα-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{[1-(Cyclohexylmethyl)-1H-indazol-3-yl]carbonyl}-L-phenylalaninamide [ACD/IUPAC Name]
Nα-{[1-(Cyclohexylméthyl)-1H-indazol-3-yl]carbonyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

3877T06H05 [DBID]
UNII:3877T06H05 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 414.74
ACD/KOC (pH 5.5): 2602.61
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 414.48
ACD/KOC (pH 7.4): 2600.94
Polar Surface Area: 90 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 316.2±7.0 cm3

Click to predict properties on the Chemicalize site