Found 1 result

Search term: NC(=O)CCC(=N)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | [(4Z)-2-[(1Z)-4-Amino-4-oxobutanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | C16H16N4O5

[(4Z)-2-[(1Z)-4-Amino-4-oxobutanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

  • Molecular FormulaC16H16N4O5
  • Average mass344.322 Da
  • Monoisotopic mass344.112061 Da
  • ChemSpider ID59052591

  • Double-bond stereo - Double-bond stereo

More details:

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

[(4Z)-2-[(1Z)-4-Amino-4-oxobutanimidoyl]-4-(4-hydroxybenzyliden)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[(4Z)-2-[(1Z)-4-Amino-4-oxobutanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid [ACD/IUPAC Name]
1H-Imidazole-1-acetic acid, 2-[(1Z)-4-amino-1-imino-4-oxobutyl]-4,5-dihydro-4-[(4-hydroxyphenyl)methylene]-5-oxo-, (4Z)- [ACD/Index Name]
Acide [(4Z)-2-[(1Z)-4-amino-4-oxobutanimidoyl]-4-(4-hydroxybenzylidène)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acétique [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: 655.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.4±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 86.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 228.6±7.0 cm3

Click to predict properties on the Chemicalize site


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