Found 1 result

Search term: WVOPASLTPNSNDT-YQYKVWLJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 4-[(2-butyl-5-{(Z)-[1-butyl-3-(2-naphthylmethyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-imidazol-1-yl)methyl]benzoate | C35H38N4O4

Methyl 4-[(2-butyl-5-{(Z)-[1-butyl-3-(2-naphthylmethyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-imidazol-1-yl)methyl]benzoate

  • Molecular FormulaC35H38N4O4
  • Average mass578.701 Da
  • Monoisotopic mass578.289307 Da
  • ChemSpider ID9932609

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(2-Butyl-5-{(Z)-[1-butyl-3-(2-naphtylméthyl)-2,5-dioxo-4-imidazolidinylidène]méthyl}-1H-imidazol-1-yl)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-butyl-5-[(Z)-[1-butyl-3-(2-naphthalenylmethyl)-2,5-dioxo-4-imidazolidinylidene]methyl]-1H-imidazol-1-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-[(2-butyl-5-{(Z)-[1-butyl-3-(2-naphthylmethyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-imidazol-1-yl)methyl]benzoate [ACD/IUPAC Name]
methyl 4-[(2-butyl-5-{(Z)-[1-butyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-imidazol-1-yl)methyl]benzoate
Methyl-4-[(2-butyl-5-{(Z)-[1-butyl-3-(2-naphthylmethyl)-2,5-dioxo-4-imidazolidinyliden]methyl}-1H-imidazol-1-yl)methyl]benzoat [German] [ACD/IUPAC Name]
4-{2-Butyl-5-[1-butyl-3-naphthalen-2-ylmethyl-2,5-dioxo-imidazolidin-(4Z)-ylidenemethyl]-imidazol-1-ylmethyl}-benzoic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL339709/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.5±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 169.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 53924.93
ACD/KOC (pH 5.5): 82976.81
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58245.72
ACD/KOC (pH 7.4): 89625.42
Polar Surface Area: 85 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 485.2±7.0 cm3

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