ChemSpider 2D Image | 1-({(7R,8S)-10-[(2R)-1-Hydroxy-2-propanyl]-8,12-dimethyl-11-oxo-7,8,9,10,11,12-hexahydro-5H-indolo[2,3-h][2,6]benzoxazacycloundecin-7-yl}methyl)-1-methyl-3-[(1R)-1-phenylethyl]urea | C35H42N4O4

1-({(7R,8S)-10-[(2R)-1-Hydroxy-2-propanyl]-8,12-dimethyl-11-oxo-7,8,9,10,11,12-hexahydro-5H-indolo[2,3-h][2,6]benzoxazacycloundecin-7-yl}methyl)-1-methyl-3-[(1R)-1-phenylethyl]urea

  • Molecular FormulaC35H42N4O4
  • Average mass582.732 Da
  • Monoisotopic mass582.320618 Da
  • ChemSpider ID28657092

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-({(7R,8S)-10-[(2R)-1-Hydroxy-2-propanyl]-8,12-dimethyl-11-oxo-7,8,9,10,11,12-hexahydro-5H-indolo[2,3-h][2,6]benzoxazacycloundecin-7-yl}methyl)-1-methyl-3-[(1R)-1-phenylethyl]harnstoff [German] [ACD/IUPAC Name]
1-({(7R,8S)-10-[(2R)-1-Hydroxy-2-propanyl]-8,12-dimethyl-11-oxo-7,8,9,10,11,12-hexahydro-5H-indolo[2,3-h][2,6]benzoxazacycloundecin-7-yl}methyl)-1-methyl-3-[(1R)-1-phenylethyl]urea [ACD/IUPAC Name]
1-({(7R,8S)-10-[(2R)-1-Hydroxy-2-propanyl]-8,12-diméthyl-11-oxo-7,8,9,10,11,12-hexahydro-5H-indolo[2,3-h][2,6]benzoxazacycloundécin-7-yl}méthyl)-1-méthyl-3-[(1R)-1-phényléthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[[(7R,8S)-7,8,9,10,11,12-hexahydro-10-[(1R)-2-hydroxy-1-methylethyl]-8,12-dimethyl-11-oxo-5H-indolo[2,3-h][2,6]benzoxaazacycloundecin-7-yl]methyl]-N-methyl-N'-[(1R)-1-phenylethyl]- [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: 836.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 459.9±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 169.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2763.61
ACD/KOC (pH 5.5): 10115.89
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2763.58
ACD/KOC (pH 7.4): 10115.80
Polar Surface Area: 87 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 483.5±7.0 cm3

Click to predict properties on the Chemicalize site


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