ChemSpider 2D Image | 2-{[3-(Methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-2-oxoethyl 2-(6-methoxy-2-naphthyl)-4-quinolinecarboxylate | C34H30N2O6S

2-{[3-(Methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-2-oxoethyl 2-(6-methoxy-2-naphthyl)-4-quinolinecarboxylate

  • Molecular FormulaC34H30N2O6S
  • Average mass594.677 Da
  • Monoisotopic mass594.182434 Da
  • ChemSpider ID1794965

More details:

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

2-(6-Méthoxy-2-naphtyl)-4-quinoléinecarboxylate de 2-{[3-(méthoxycarbonyl)-5,6,7,8-tétrahydro-4H-cyclohepta[b]thiophén-2-yl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[3-(Methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-2-oxoethyl 2-(6-methoxy-2-naphthyl)-4-quinolinecarboxylate [ACD/IUPAC Name]
2-{[3-(Methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-2-oxoethyl-2-(6-methoxy-2-naphthyl)-4-chinolincarboxylat [German] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 2-(6-methoxy-2-naphthalenyl)-, 2-oxo-2-[[5,6,7,8-tetrahydro-3-(methoxycarbonyl)-4H-cyclohepta[b]thien-2-yl]amino]ethyl 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: 857.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 472.2±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 306140.25
ACD/KOC (pH 5.5): 294028.22
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 306131.84
ACD/KOC (pH 7.4): 294020.16
Polar Surface Area: 132 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 447.5±3.0 cm3

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