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Search term: JPIRWNDZNKNZNB-OYKKKHCWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 4-({2-butyl-5-[(Z)-{1-[2-(methylsulfanyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,5-dioxo-4-imidazolidinylidene}methyl]-1H-imidazol-1-yl}methyl)benzoate | C28H33N5O4S2

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

  • Molecular FormulaC28H33N5O4S2
  • Average mass567.723 Da
  • Monoisotopic mass567.197388 Da
  • ChemSpider ID8636024

  • 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-[2-(méthylsulfanyl)éthyl]-3-[(2-méthyl-1,3-thiazol-4-yl)méthyl]-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)-[3-[(2-methyl-4-thiazolyl)methyl]-1-[2-(methylthio)ethyl]-2,5-dioxo-4-imidazolidinylidene]methyl]-1H-imidazol-1-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-({2-butyl-5-[(Z)-{1-[2-(methylsulfanyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,5-dioxo-4-imidazolidinylidene}methyl]-1H-imidazol-1-yl}methyl)benzoate [ACD/IUPAC Name]
methyl 4-({2-butyl-5-[(Z)-{1-[2-(methylsulfanyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,5-dioxoimidazolidin-4-ylidene}methyl]-1H-imidazol-1-yl}methyl)benzoate
Methyl-4-({2-butyl-5-[(Z)-{1-[2-(methylsulfanyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,5-dioxo-4-imidazolidinyliden}methyl]-1H-imidazol-1-yl}methyl)benzoat [German] [ACD/IUPAC Name]
4-{2-Butyl-5-[1-(2-methylsulfanyl-ethyl)-3-(2-methyl-thiazol-4-ylmethyl)-2,5-dioxo-imidazolidin-(4Z)-ylidenemethyl]-imidazol-1-ylmethyl}-benzoic acid methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.6±35.7 °C
Index of Refraction: 1.649
Molar Refractivity: 158.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 834.55
ACD/KOC (pH 5.5): 4186.68
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 910.61
ACD/KOC (pH 7.4): 4568.23
Polar Surface Area: 151 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 434.2±7.0 cm3

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