Found 33 results

Search term: MF = 'C_{33}H_{44}N_{6}O_{4}'
ChemSpider 2D Image | (2S,5S)-11-[2,4-Dimethyl-6-(1H-pyrazol-1-yl)benzyl]-2-(4-methoxybenzyl)-4,5-dimethyl-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione | C33H44N6O4

(2S,5S)-11-[2,4-Dimethyl-6-(1H-pyrazol-1-yl)benzyl]-2-(4-methoxybenzyl)-4,5-dimethyl-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione

  • Molecular FormulaC33H44N6O4
  • Average mass588.740 Da
  • Monoisotopic mass588.342407 Da
  • ChemSpider ID71343069

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-11-[2,4-Dimethyl-6-(1H-pyrazol-1-yl)benzyl]-2-(4-methoxybenzyl)-4,5-dimethyl-1,4,7,11-tetraazacyclopentadecan-3,6,15-trion [German] [ACD/IUPAC Name]
(2S,5S)-11-[2,4-Dimethyl-6-(1H-pyrazol-1-yl)benzyl]-2-(4-methoxybenzyl)-4,5-dimethyl-1,4,7,11-tetraazacyclopentadecane-3,6,15-trione [ACD/IUPAC Name]
(2S,5S)-11-[2,4-Diméthyl-6-(1H-pyrazol-1-yl)benzyl]-2-(4-méthoxybenzyl)-4,5-diméthyl-1,4,7,11-tétraazacyclopentadécane-3,6,15-trione [French] [ACD/IUPAC Name]
1,4,7,11-Tetraazacyclopentadecane-3,6,15-trione, 11-[[2,4-dimethyl-6-(1H-pyrazol-1-yl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-, (2S,5S)- [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: 844.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 464.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 168.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.35
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 15.53
ACD/KOC (pH 7.4): 168.52
Polar Surface Area: 109 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 489.2±7.0 cm3

Click to predict properties on the Chemicalize site


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