ChemSpider 2D Image | 2-Methyl-2-propanyl 5-({3,4-dioxo-2-[(4-sulfamoylbenzyl)amino]-1-cyclobuten-1-yl}amino)-1H-indazole-1-carboxylate | C23H23N5O6S

2-Methyl-2-propanyl 5-({3,4-dioxo-2-[(4-sulfamoylbenzyl)amino]-1-cyclobuten-1-yl}amino)-1H-indazole-1-carboxylate

  • Molecular FormulaC23H23N5O6S
  • Average mass497.524 Da
  • Monoisotopic mass497.136902 Da
  • ChemSpider ID24808464

More details:

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

1H-Indazole-1-carboxylic acid, 5-[[2-[[[4-(aminosulfonyl)phenyl]methyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-({3,4-dioxo-2-[(4-sulfamoylbenzyl)amino]-1-cyclobuten-1-yl}amino)-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-({3,4-dioxo-2-[(4-sulfamoylbenzyl)amino]-1-cyclobuten-1-yl}amino)-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
5-({3,4-Dioxo-2-[(4-sulfamoylbenzyl)amino]-1-cyclobutén-1-yl}amino)-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Kinome_3190

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.4±35.7 °C
Index of Refraction: 1.693
Molar Refractivity: 127.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.94
ACD/KOC (pH 5.5): 124.53
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 124.30
Polar Surface Area: 171 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

Click to predict properties on the Chemicalize site


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