ChemSpider 2D Image | (2r,5r,7r)-1'-Benzyl-5-methyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione | C26H29N3O2

(2r,5r,7r)-1'-Benzyl-5-methyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6(1'H)-dione

  • Molecular FormulaC26H29N3O2
  • Average mass415.527 Da
  • Monoisotopic mass415.225983 Da
  • ChemSpider ID78076733
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2r,5r,7r)-1'-Benzyl-5-methyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6(1'H)-dione [ACD/IUPAC Name]
Spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-[3H]indole]-2',6(1'H)-dione, 5-methyl-1'-(phenylmethyl)-7-propyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 284.8±23.9 °C
Index of Refraction: 1.682
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13854.10
ACD/KOC (pH 5.5): 32058.09
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13875.42
ACD/KOC (pH 7.4): 32107.44
Polar Surface Area: 44 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 316.7±5.0 cm3

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