ChemSpider 2D Image | 8-(2,6-Difluorobenzyl)-4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane | C21H28F2N4O

8-(2,6-Difluorobenzyl)-4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane

  • Molecular FormulaC21H28F2N4O
  • Average mass390.470 Da
  • Monoisotopic mass390.223114 Da
  • ChemSpider ID53583389

More details:

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

2,8-Diazaspiro[4.5]decane, 8-[(2,6-difluorophenyl)methyl]-2-methyl-4-[5-(1-methylethyl)-1,3,4-oxadiazol-2-yl]- [ACD/Index Name]
8-(2,6-Difluorbenzyl)-4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan [German] [ACD/IUPAC Name]
8-(2,6-Difluorobenzyl)-4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane [ACD/IUPAC Name]
8-(2,6-Difluorobenzyl)-4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-méthyl-2,8-diazaspiro[4.5]décane [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 9.52
ACD/KOC (pH 7.4): 79.72
Polar Surface Area: 45 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 315.8±5.0 cm3

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