ChemSpider 2D Image | (1R,7S,1'R,7'S)-4,4'-[(1-Methyl-1H-imidazol-2-yl)methylene]bis(1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.0~2,6~]deca-2,5-diene) | C27H36N6

(1R,7S,1'R,7'S)-4,4'-[(1-Methyl-1H-imidazol-2-yl)methylene]bis(1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene)

  • Molecular FormulaC27H36N6
  • Average mass444.615 Da
  • Monoisotopic mass444.300140 Da
  • ChemSpider ID30652817

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,7S,1'R,7'S)-4,4'-[(1-Methyl-1H-imidazol-2-yl)methylen]bis(1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien) [German] [ACD/IUPAC Name]
(1R,7S,1'R,7'S)-4,4'-[(1-Methyl-1H-imidazol-2-yl)methylene]bis(1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene) [ACD/IUPAC Name]
(1R,7S,1'R,7'S)-4,4'-[(1-Méthyl-1H-imidazol-2-yl)méthylène]bis(1,10,10-triméthyl-3,4-diazatricyclo[5.2.1.02,6]déca-2,5-diène) [French] [ACD/IUPAC Name]
4,7-Methano-2H-indazole, 2,2'-[(1-methyl-1H-imidazol-2-yl)methylene]bis[4,5,6,7-tetrahydro-7,8,8-trimethyl-, (4S,7R,4'S,7'R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.727
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 23881.38
ACD/KOC (pH 5.5): 46931.19
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24645.65
ACD/KOC (pH 7.4): 48433.13
Polar Surface Area: 53 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 329.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement