ChemSpider 2D Image | 2-(3-{[(4R,7R,10R)-10-Benzyl-7-isobutyl-4-methyl-2,5,8,11-tetraoxo-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dien-15-yl]carbonyl}phenoxy)acetamide | C34H41N7O8

2-(3-{[(4R,7R,10R)-10-Benzyl-7-isobutyl-4-methyl-2,5,8,11-tetraoxo-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dien-15-yl]carbonyl}phenoxy)acetamide

  • Molecular FormulaC34H41N7O8
  • Average mass675.731 Da
  • Monoisotopic mass675.301636 Da
  • ChemSpider ID71269151
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-(3-{[(4R,7R,10R)-10-Benzyl-7-isobutyl-4-methyl-2,5,8,11-tetraoxo-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dien-15-yl]carbonyl}phenoxy)acetamid [German] [ACD/IUPAC Name]
2-(3-{[(4R,7R,10R)-10-Benzyl-7-isobutyl-4-methyl-2,5,8,11-tetraoxo-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dien-15-yl]carbonyl}phenoxy)acetamide [ACD/IUPAC Name]
2-(3-{[(4R,7R,10R)-10-Benzyl-7-isobutyl-4-méthyl-2,5,8,11-tétraoxo-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]icosa-1(19),17(20)-dién-15-yl]carbonyl}phénoxy)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[3-[[(4R,7R,10R)-4-methyl-7-(2-methylpropyl)-2,5,8,11-tetraoxo-10-(phenylmethyl)-18-oxa-3,6,9,12,15,19-hexaazabicyclo[15.2.1]eicosa-17(20),19-dien-15-yl]carbonyl]phenoxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1128.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.7±3.0 kJ/mol
Flash Point: 636.2±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.19
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.19
Polar Surface Area: 215 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 556.2±3.0 cm3

Click to predict properties on the Chemicalize site






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