ChemSpider 2D Image | Methyl 2-{1-[4-(hexyloxy)phenyl]-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate | C30H30N2O6S

Methyl 2-{1-[4-(hexyloxy)phenyl]-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC30H30N2O6S
  • Average mass546.634 Da
  • Monoisotopic mass546.182434 Da
  • ChemSpider ID3894949

More details:

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

2-{1-[4-(Hexyloxy)phényl]-7-méthyl-3,9-dioxo-3,9-dihydrochroméno[2,3-c]pyrrol-2(1H)-yl}-4-méthyl-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[1-[4-(hexyloxy)phenyl]-3,9-dihydro-7-methyl-3,9-dioxo[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-, methyl ester [ACD/Index Name]
Methyl 2-{1-[4-(hexyloxy)phenyl]-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl-2-{1-[4-(hexyloxy)phenyl]-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 683.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.9±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35730.03
ACD/KOC (pH 5.5): 63186.65
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35735.60
ACD/KOC (pH 7.4): 63196.50
Polar Surface Area: 123 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 404.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement