Found 542 results

Search term: MF = 'C_{29}H_{35}FN_{4}O_{5}'
ChemSpider 2D Image | (9aR,11R,12aS)-N~1~-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N~11~-(3-fluorobenzyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1,11(2H)-dicarboxamide | C29H35FN4O5

(9aR,11R,12aS)-N1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N11-(3-fluorobenzyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1,11(2H)-dicarboxamide

  • Molecular FormulaC29H35FN4O5
  • Average mass538.610 Da
  • Monoisotopic mass538.259155 Da
  • ChemSpider ID53590548

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9aR,11R,12aS)-N1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N11-(3-fluorbenzyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecin-1,11(2H)-dicarboxamid [German] [ACD/IUPAC Name]
(9aR,11R,12aS)-N1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N11-(3-fluorobenzyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1,11(2H)-dicarboxamide [ACD/IUPAC Name]
(9aR,11R,12aS)-N1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N11-(3-fluorobenzyl)-9-oxododécahydrocyclopenta[b][1,5]diazacycloundécine-1,11(2H)-dicarboxamide [French] [ACD/IUPAC Name]
Cyclopenta[b][1,5]diazacycloundecine-1,11(2H)-dicarboxamide, N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N11-[(3-fluorophenyl)methyl]dodecahydro-9-oxo-, (9aR,11R,12aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 838.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 461.0±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.58
ACD/KOC (pH 5.5): 896.59
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.59
ACD/KOC (pH 7.4): 896.61
Polar Surface Area: 109 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 425.5±3.0 cm3

Click to predict properties on the Chemicalize site


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