ChemSpider 2D Image | 2-({3-[(2E)-2-(2,5-Dimethoxybenzylidene)hydrazino]-1H-1,2,4-triazol-5-yl}sulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethanone | C24H28N6O5S

2-({3-[(2E)-2-(2,5-Dimethoxybenzylidene)hydrazino]-1H-1,2,4-triazol-5-yl}sulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethanone

  • Molecular FormulaC24H28N6O5S
  • Average mass512.581 Da
  • Monoisotopic mass512.184204 Da
  • ChemSpider ID28278191

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({3-[(2E)-2-(2,5-Dimethoxybenzyliden)hydrazino]-1H-1,2,4-triazol-5-yl}sulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)ethanon [German] [ACD/IUPAC Name]
2-({3-[(2E)-2-(2,5-Diméthoxybenzylidène)hydrazino]-1H-1,2,4-triazol-5-yl}sulfanyl)-1-(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)éthanone [French] [ACD/IUPAC Name]
2-({3-[(2E)-2-(2,5-Dimethoxybenzylidene)hydrazino]-1H-1,2,4-triazol-5-yl}sulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethanone [ACD/IUPAC Name]
2-({5-[(2E)-2-(2,5-Dimethoxybenzyliden)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)ethanon [German] [ACD/IUPAC Name]
2-({5-[(2E)-2-(2,5-Diméthoxybenzylidène)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)éthanone [French] [ACD/IUPAC Name]
2-({5-[(2E)-2-(2,5-Dimethoxybenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethanone [ACD/IUPAC Name]
Benzaldehyde, 2,5-dimethoxy-, 1-[2-[5-[[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]hydrazone] [ACD/Index Name]
2,5-dimethoxybenzaldehyde (5-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)hydrazone
isoquinoline, 2-[[[5-[(2E)-2-[(2,5-dimethoxyphenyl)methylene]hydrazino]-4H-1,2,4-triazol-3-yl]thio]acetyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 773.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.4±35.7 °C
Index of Refraction: 1.648
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.84
ACD/KOC (pH 5.5): 1726.37
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 221.85
ACD/KOC (pH 7.4): 1637.79
Polar Surface Area: 148 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 373.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement