ChemSpider 2D Image | (7S,10R)-4-[(2S)-2-Butanyl]-7-(4-methoxybenzyl)-10-methyl-17-(tetrahydro-2H-pyran-4-ylcarbonyl)-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone | C37H51N5O7

(7S,10R)-4-[(2S)-2-Butanyl]-7-(4-methoxybenzyl)-10-methyl-17-(tetrahydro-2H-pyran-4-ylcarbonyl)-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID71344424

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(7S,10R)-4-[(2S)-2-Butanyl]-7-(4-methoxybenzyl)-10-methyl-17-(tetrahydro-2H-pyran-4-ylcarbonyl)-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-trien-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(7S,10R)-4-[(2S)-2-Butanyl]-7-(4-methoxybenzyl)-10-methyl-17-(tetrahydro-2H-pyran-4-ylcarbonyl)-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone [ACD/IUPAC Name]
(7S,10R)-4-[(2S)-2-Butanyl]-7-(4-méthoxybenzyl)-10-méthyl-17-(tétrahydro-2H-pyran-4-ylcarbonyl)-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
3,6,9,12,17-Pentaazabicyclo[17.2.2]tricosa-19,21,22-triene-2,5,8,11-tetrone, 7-[(4-methoxyphenyl)methyl]-10-methyl-4-[(1S)-1-methylpropyl]-17-[(tetrahydro-2H-pyran-4-yl)carbonyl]-, (7S,10R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1009.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 564.2±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 183.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.59
ACD/KOC (pH 5.5): 175.39
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.59
ACD/KOC (pH 7.4): 175.39
Polar Surface Area: 155 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 603.8±3.0 cm3

Click to predict properties on the Chemicalize site


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