ChemSpider 2D Image | (15S)-15-(1H-Indol-3-ylmethyl)-8-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-2,5,8,13,16,22-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione | C36H38N8O5

(15S)-15-(1H-Indol-3-ylmethyl)-8-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-2,5,8,13,16,22-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione

  • Molecular FormulaC36H38N8O5
  • Average mass662.737 Da
  • Monoisotopic mass662.296509 Da
  • ChemSpider ID97096778

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(15S)-15-(1H-Indol-3-ylmethyl)-8-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-2,5,8,13,16,22-hexaazabicyclo[16.3.1]docosa-1(22),18,20-trien-6,14,17-trion [German] [ACD/IUPAC Name]
(15S)-15-(1H-Indol-3-ylmethyl)-8-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-2,5,8,13,16,22-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione [ACD/IUPAC Name]
(15S)-15-(1H-Indol-3-ylméthyl)-8-[(5-méthyl-3-phényl-1,2-oxazol-4-yl)carbonyl]-2,5,8,13,16,22-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triène-6,14,17-trione [French] [ACD/IUPAC Name]
2,5,8,13,16,22-Hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione, 15-(1H-indol-3-ylmethyl)-8-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-, (15S)- [ACD/Index Name]
(15S)-15-(1H-indol-3-ylmethyl)-8-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-2,5,8,13,16,22-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1113.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.2±3.0 kJ/mol
Flash Point: 627.0±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 181.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.70
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.53
ACD/KOC (pH 5.5): 212.36
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.54
ACD/KOC (pH 7.4): 212.62
Polar Surface Area: 174 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 532.4±3.0 cm3

Click to predict properties on the Chemicalize site


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