ChemSpider 2D Image | N-[(2R,3S)-6,9-Bis(1H-indol-3-ylmethyl)-2-methyl-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradecan-3-yl]-2-phenylacetamide | C37H38N6O6

N-[(2R,3S)-6,9-Bis(1H-indol-3-ylmethyl)-2-methyl-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradecan-3-yl]-2-phenylacetamide

  • Molecular FormulaC37H38N6O6
  • Average mass662.734 Da
  • Monoisotopic mass662.285278 Da
  • ChemSpider ID78440487

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Benzeneacetamide, N-[(2R,3S)-6,9-bis(1H-indol-3-ylmethyl)-2-methyl-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]- [ACD/Index Name]
N-[(2R,3S)-6,9-Bis(1H-indol-3-ylmethyl)-2-methyl-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradecan-3-yl]-2-phenylacetamid [German] [ACD/IUPAC Name]
N-[(2R,3S)-6,9-Bis(1H-indol-3-ylmethyl)-2-methyl-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradecan-3-yl]-2-phenylacetamide [ACD/IUPAC Name]
N-[(2R,3S)-6,9-Bis(1H-indol-3-ylméthyl)-2-méthyl-4,7,10,14-tétraoxo-1-oxa-5,8,11-triazacyclotétradécan-3-yl]-2-phénylacétamide [French] [ACD/IUPAC Name]
xenematide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1152.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.7±3.0 kJ/mol
Flash Point: 651.0±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.15
ACD/KOC (pH 5.5): 471.34
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.15
ACD/KOC (pH 7.4): 471.34
Polar Surface Area: 174 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 481.1±5.0 cm3

Click to predict properties on the Chemicalize site


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