ChemSpider 2D Image | (2R,6S,7S)-4-({[1-(3,4-Dichlorobenzyl)-1H-indol-3-yl]methylene}amino)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione | C25H19Cl2N3O2

(2R,6S,7S)-4-({[1-(3,4-Dichlorobenzyl)-1H-indol-3-yl]methylene}amino)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

  • Molecular FormulaC25H19Cl2N3O2
  • Average mass464.343 Da
  • Monoisotopic mass463.085419 Da
  • ChemSpider ID79739871

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,6S,7S)-4-({[1-(3,4-Dichlorbenzyl)-1H-indol-3-yl]methylen}amino)-4-azatricyclo[5.2.1.02,6]dec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(2R,6S,7S)-4-({[1-(3,4-Dichlorobenzyl)-1H-indol-3-yl]methylene}amino)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione [ACD/IUPAC Name]
(2R,6S,7S)-4-({[1-(3,4-Dichlorobenzyl)-1H-indol-3-yl]méthylène}amino)-4-azatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[[1-[(3,4-dichlorophenyl)methyl]-1H-indol-3-yl]methylene]amino]-3a,4,7,7a-tetrahydro-, (3aR,7S,7aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 656.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.0±34.3 °C
Index of Refraction: 1.757
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 55 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 303.1±7.0 cm3

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