ChemSpider 2D Image | N-[(2S)-1-Hydroxy-4-methyl-2-pentanyl]-3-(10-isopropyl-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)propanamide | C26H43N3O4

N-[(2S)-1-Hydroxy-4-methyl-2-pentanyl]-3-(10-isopropyl-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)propanamide

  • Molecular FormulaC26H43N3O4
  • Average mass461.637 Da
  • Monoisotopic mass461.325348 Da
  • ChemSpider ID77211546

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,7,10-Benzoxadiazacyclotridecine-13-propanamide, 2,3,4,5,6,7,8,9,10,11-decahydro-N-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-10-(1-methylethyl)-8-oxo- [ACD/Index Name]
N-[(2S)-1-Hydroxy-4-methyl-2-pentanyl]-3-(10-isopropyl-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)propanamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-4-methyl-2-pentanyl]-3-(10-isopropyl-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)propanamide [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-4-méthyl-2-pentanyl]-3-(10-isopropyl-8-oxo-2,3,4,5,6,7,8,9,10,11-décahydro-1,7,10-benzoxadiazacyclotridécin-13-yl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 693.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.3±31.5 °C
Index of Refraction: 1.508
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 66.94
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 105.47
ACD/KOC (pH 7.4): 927.59
Polar Surface Area: 91 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 439.7±3.0 cm3

Click to predict properties on the Chemicalize site


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