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]-5-indolinecarboxylic acid | C25H25N5O3S

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]-5-indolinecarboxylic acid

  • Molecular FormulaC25H25N5O3S
  • Average mass475.563 Da
  • Monoisotopic mass475.167816 Da
  • ChemSpider ID26364825

  • 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]-5-indolincarbonsäure [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]-5-indolinecarboxylic acid [ACD/IUPAC Name]
1H-Indole-5-carboxylic 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]-2,3-dihydro- [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]-5-indolinecarboxylique [French] [ACD/IUPAC 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: 654.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.3±34.3 °C
Index of Refraction: 1.739
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 12.03
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 9.26
Polar Surface Area: 129 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 326.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement