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Search term: IKFUIKKYPURVDW-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[({4-[(Cyclopropylcarbamoyl)amino]benzoyl}amino)methyl]-1H-indole-2-carboxylic acid | C21H20N4O4

3-[({4-[(Cyclopropylcarbamoyl)amino]benzoyl}amino)methyl]-1H-indole-2-carboxylic acid

  • Molecular FormulaC21H20N4O4
  • Average mass392.408 Da
  • Monoisotopic mass392.148468 Da
  • ChemSpider ID114913215

More details:

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

1H-Indole-2-carboxylic acid, 3-[[[4-[[(cyclopropylamino)carbonyl]amino]benzoyl]amino]methyl]- [ACD/Index Name]
3-[({4-[(Cyclopropylcarbamoyl)amino]benzoyl}amino)methyl]-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
3-[({4-[(Cyclopropylcarbamoyl)amino]benzoyl}amino)methyl]-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-[({4-[(cyclopropylcarbamoyl)amino]benzoyl}amino)méthyl]-1H-indole-2-carboxylique [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: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.717
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 5.58
ACD/KOC (pH 5.5): 57.30
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 123 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 269.5±5.0 cm3

Click to predict properties on the Chemicalize site


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