ChemSpider 2D Image | N-{(1E)-1-[(3aS,4R,9bR)-4-(2,3-Dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidene}-2-[(4-methylbenzyl)sulfanyl]ethanehydrazonic acid | C32H35N3O3S

N-{(1E)-1-[(3aS,4R,9bR)-4-(2,3-Dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidene}-2-[(4-methylbenzyl)sulfanyl]ethanehydrazonic acid

  • Molecular FormulaC32H35N3O3S
  • Average mass541.704 Da
  • Monoisotopic mass541.239929 Da
  • ChemSpider ID57263492

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide N-{(1E)-1-[(3aS,4R,9bR)-4-(2,3-diméthoxyphényl)-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléin-8-yl]éthylidène}-2-[(4-méthylbenzyl)sulfanyl]éthanehydrazonique [French] [ACD/IUPAC Name]
Ethanehydrazonic acid, N-[(1E)-1-[(3aS,4R,9bR)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidene]-2-[[(4-methylphenyl)methyl]thio]- [ACD/Index Name]
N-{(1E)-1-[(3aS,4R,9bR)-4-(2,3-Dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin-8-yl]ethyliden}-2-[(4-methylbenzyl)sulfanyl]ethanhydrazonsäure [German] [ACD/IUPAC Name]
N-{(1E)-1-[(3aS,4R,9bR)-4-(2,3-Dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidene}-2-[(4-methylbenzyl)sulfanyl]ethanehydrazonic acid [ACD/IUPAC Name]
N-[1-[(3AS,4R,9BR)-4-(2,3-DIMETHOXYPHENYL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLIN-8-YL]ETHYLIDENEAMINO]-2-[(4-METHYLPHENYL)METHYLSULFANYL]ACETAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.2±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 565.46
ACD/KOC (pH 5.5): 977.70
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 642.85
ACD/KOC (pH 7.4): 1111.51
Polar Surface Area: 101 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 439.8±7.0 cm3

Click to predict properties on the Chemicalize site


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