ChemSpider 2D Image | N-{4-[(9S)-7,10-Dimethyl-8,11-dioxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-9-yl]butyl}-2-(2-fluorophenoxy)-N-methylacetamide | C29H38FN3O5

N-{4-[(9S)-7,10-Dimethyl-8,11-dioxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-9-yl]butyl}-2-(2-fluorophenoxy)-N-methylacetamide

  • Molecular FormulaC29H38FN3O5
  • Average mass527.628 Da
  • Monoisotopic mass527.279541 Da
  • ChemSpider ID80818140

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[4-[(9S)-2,3,4,5,6,7,8,9,10,11-decahydro-7,10-dimethyl-8,11-dioxo-1,7,10-benzoxadiazacyclotridecin-9-yl]butyl]-2-(2-fluorophenoxy)-N-methyl- [ACD/Index Name]
N-{4-[(9S)-7,10-Dimethyl-8,11-dioxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-9-yl]butyl}-2-(2-fluorophenoxy)-N-methylacetamide [ACD/IUPAC Name]
N-{4-[(9S)-7,10-Diméthyl-8,11-dioxo-2,3,4,5,6,7,8,9,10,11-décahydro-1,7,10-benzoxadiazacyclotridécin-9-yl]butyl}-2-(2-fluorophénoxy)-N-méthylacétamide [French] [ACD/IUPAC Name]
N-{4-[(9S)-7,10-Dimethyl-8,11-dioxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-9-yl]butyl}-2-(2-fluorphenoxy)-N-methylacetamid [German] [ACD/IUPAC 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: 715.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.7±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.70
ACD/KOC (pH 5.5): 1082.09
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.70
ACD/KOC (pH 7.4): 1082.09
Polar Surface Area: 79 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 463.7±3.0 cm3

Click to predict properties on the Chemicalize site


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