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Search term: NXQDHHINNZIVQT-HAHDFKILSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(2-{(1Z)-1-[1-(2,3-Dihydro-1H-inden-5-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}hydrazino)carbonothioyl]-1,2,3,4-tetrahydro-6-quinolinecarboxylic acid | C26H27N5O3S

1-[(2-{(1Z)-1-[1-(2,3-Dihydro-1H-inden-5-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}hydrazino)carbonothioyl]-1,2,3,4-tetrahydro-6-quinolinecarboxylic acid

  • Molecular FormulaC26H27N5O3S
  • Average mass489.589 Da
  • Monoisotopic mass489.183472 Da
  • ChemSpider ID26364966

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(2-{(1Z)-1-[1-(2,3-Dihydro-1H-inden-5-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]ethyl}hydrazino)carbonothioyl]-1,2,3,4-tetrahydro-6-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-[(2-{(1Z)-1-[1-(2,3-Dihydro-1H-inden-5-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}hydrazino)carbonothioyl]-1,2,3,4-tetrahydro-6-quinolinecarboxylic acid [ACD/IUPAC Name]
6-Quinolinecarboxylic acid, 1-[[2-[(1Z)-1-[1-(2,3-dihydro-1H-inden-5-yl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]ethyl]hydrazinyl]thioxomethyl]-1,2,3,4-tetrahydro- [ACD/Index Name]
Acide 1-[(2-{(1Z)-1-[1-(2,3-dihydro-1H-indén-5-yl)-3-méthyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidène]éthyl}hydrazino)carbonothioyl]-1,2,3,4-tétrahydro-6-quinoléinecarboxylique [French] [ACD/IUPAC 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: 666.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.6±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 18.14
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 14.43
Polar Surface Area: 129 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 342.6±7.0 cm3

Click to predict properties on the Chemicalize site


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