ChemSpider 2D Image | 2,2-Dicyclopropyl-6-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl 3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate | C34H42N2O8

2,2-Dicyclopropyl-6-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl 3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate

  • Molecular FormulaC34H42N2O8
  • Average mass606.706 Da
  • Monoisotopic mass606.294128 Da
  • ChemSpider ID2817395

More details:

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

2,2-Dicyclopropyl-6-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl 3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate [ACD/IUPAC Name]
2,2-Dicyclopropyl-6-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl-3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoat [German] [ACD/IUPAC Name]
3-[2-(7-Oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate de 2,2-dicyclopropyl-6-({3-[(2-hydroxyéthyl)amino]-3-oxopropyl}carbamoyl)-3a,4,5,7a-tétrahydro-1,3-benzodioxol-4-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethenyl]-, 2,2-dicyclopropyl-3a,4,5,7a-tetrahydro-6-[[[3-[(2-hydroxyethyl)amino]-3-oxopropyl]amino]carbonyl]-1,3-benzodioxol-4-yl 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: 876.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.7±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.30
ACD/KOC (pH 5.5): 1644.01
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.30
ACD/KOC (pH 7.4): 1644.01
Polar Surface Area: 136 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 450.3±5.0 cm3

Click to predict properties on the Chemicalize site


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