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Search term: NC(=N)C1CCCC(COC(=O)c2cc3ccccc3n2CC2=CC(CC=C2)C(N)=N)C1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (3-Carbamimidoylcyclohexyl)methyl 1-[(3-carbamimidoyl-1,5-cyclohexadien-1-yl)methyl]-1H-indole-2-carboxylate | C25H31N5O2

(3-Carbamimidoylcyclohexyl)methyl 1-[(3-carbamimidoyl-1,5-cyclohexadien-1-yl)methyl]-1H-indole-2-carboxylate

  • Molecular FormulaC25H31N5O2
  • Average mass433.546 Da
  • Monoisotopic mass433.247772 Da
  • ChemSpider ID22376759

More details:

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

(3-Carbamimidoylcyclohexyl)methyl 1-[(3-carbamimidoyl-1,5-cyclohexadien-1-yl)methyl]-1H-indole-2-carboxylate [ACD/IUPAC Name]
(3-Carbamimidoylcyclohexyl)methyl-1-[(3-carbamimidoyl-1,5-cyclohexadien-1-yl)methyl]-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
1-[(3-Carbamimidoyl-1,5-cyclohexadién-1-yl)méthyl]-1H-indole-2-carboxylate de (3-carbamimidoylcyclohexyl)méthyle [French] [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, 1-[[3-(aminoiminomethyl)-1,5-cyclohexadien-1-yl]methyl]-, [3-(aminoiminomethyl)cyclohexyl]methyl ester [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: 632.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.5±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 322.3±7.0 cm3

Click to predict properties on the Chemicalize site


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