ChemSpider 2D Image | (4S,7S,10R)-7,10-Dibenzyl-15-(ethoxyacetyl)-4-methyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone | C32H38N6O7

(4S,7S,10R)-7,10-Dibenzyl-15-(ethoxyacetyl)-4-methyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone

  • Molecular FormulaC32H38N6O7
  • Average mass618.680 Da
  • Monoisotopic mass618.280212 Da
  • ChemSpider ID71277035

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,7S,10R)-7,10-Dibenzyl-15-(2-éthoxyacétyl)-4-méthyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
(4S,7S,10R)-7,10-Dibenzyl-15-(ethoxyacetyl)-4-methyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dien-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(4S,7S,10R)-7,10-Dibenzyl-15-(ethoxyacetyl)-4-methyl-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone [ACD/IUPAC Name]
18-Oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]eicosa-17(20),19-diene-2,5,8,11-tetrone, 15-(2-ethoxyacetyl)-4-methyl-7,10-bis(phenylmethyl)-, (4S,7S,10R)- [ACD/Index 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: 1031.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.0±3.0 kJ/mol
Flash Point: 577.4±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 161.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.99
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 45.35
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 45.35
Polar Surface Area: 172 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 515.8±3.0 cm3

Click to predict properties on the Chemicalize site


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