ChemSpider 2D Image | 2-{[4-Allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene]acetohydrazide | C27H31N7OS

2-{[4-Allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene]acetohydrazide

  • Molecular FormulaC27H31N7OS
  • Average mass501.646 Da
  • Monoisotopic mass501.231079 Da
  • ChemSpider ID100365138

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[4-Allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]chinolin-9-ylmethylen]acetohydrazid [German] [ACD/IUPAC Name]
2-{[4-Allyl-5-(anilinométhyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-2,3,6,7-tétrahydro-1H,5H-pyrido[3,2,1-ij]quinoléin-9-ylméthylène]acétohydrazide [French] [ACD/IUPAC Name]
2-{[4-Allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene]acetohydrazide [ACD/IUPAC Name]
Acetic acid, 2-[[5-[(phenylamino)methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]hydrazide [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 145.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3131.42
ACD/KOC (pH 5.5): 10849.50
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3349.89
ACD/KOC (pH 7.4): 11606.47
Polar Surface Area: 113 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 380.2±7.0 cm3

Click to predict properties on the Chemicalize site


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