ChemSpider 2D Image | 6-({3-[(2-Hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yl 4-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate | C36H40N2O8

6-({3-[(2-Hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yl 4-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID4244358

More details:

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

4-[2-(7-Oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate de 6-({3-[(2-hydroxyéthyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yle [French] [ACD/IUPAC Name]
6-({3-[(2-Hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yl 4-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate [ACD/IUPAC Name]
6-({3-[(2-Hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yl-4-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethenyl]-, 1',3',3a,4,5,7a-hexahydro-6-[[[3-[(2-hydroxyethyl)amino]-3-oxopropyl]amino]carbonyl]spiro[1,3-benzodioxole-2,2'-[2H]inden]-4-yl ester [ACD/Index 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: 920.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.2±3.0 kJ/mol
Flash Point: 510.3±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 168.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 123.62
ACD/KOC (pH 5.5): 1094.28
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.62
ACD/KOC (pH 7.4): 1094.28
Polar Surface Area: 136 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 461.3±5.0 cm3

Click to predict properties on the Chemicalize site


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