ChemSpider 2D Image | Isopropyl 4-({2-[4-(hexyloxy)-3-methoxyphenyl]-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoate | C39H45NO7

Isopropyl 4-({2-[4-(hexyloxy)-3-methoxyphenyl]-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoate

  • Molecular FormulaC39H45NO7
  • Average mass639.777 Da
  • Monoisotopic mass639.319580 Da
  • ChemSpider ID117892095

More details:

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

4-({2-[4-(Hexyloxy)-3-méthoxyphényl]-4-hydroxy-5-oxo-3-(5,6,7,8-tétrahydro-2-naphtalénylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl}méthyl)benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[4-(hexyloxy)-3-methoxyphenyl]-2,5-dihydro-4-hydroxy-5-oxo-3-[(5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]-1H-pyrrol-1-yl]methyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 4-({2-[4-(hexyloxy)-3-methoxyphenyl]-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoate [ACD/IUPAC Name]
Isopropyl-4-({2-[4-(hexyloxy)-3-methoxyphenyl]-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalinylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl}methyl)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 180.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 6.85
ACD/BCF (pH 5.5): 52871.29
ACD/KOC (pH 5.5): 42352.38
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 912.05
ACD/KOC (pH 7.4): 730.59
Polar Surface Area: 102 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 530.7±3.0 cm3

Click to predict properties on the Chemicalize site


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