ChemSpider 2D Image | 2-(10,10-Dimethyl-8,9,10,11-tetrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridecin-6(7H)-yl)-N-{2-[(4-fluorophenyl)sulfonyl]ethyl}acetamide | C29H34FN3O5S

2-(10,10-Dimethyl-8,9,10,11-tetrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridecin-6(7H)-yl)-N-{2-[(4-fluorophenyl)sulfonyl]ethyl}acetamide

  • Molecular FormulaC29H34FN3O5S
  • Average mass555.661 Da
  • Monoisotopic mass555.220337 Da
  • ChemSpider ID77203075

More details:

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

2-(10,10-Dimethyl-8,9,10,11-tetrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridecin-6(7H)-yl)-N-{2-[(4-fluorophenyl)sulfonyl]ethyl}acetamide [ACD/IUPAC Name]
2-(10,10-Diméthyl-8,9,10,11-tétrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridécin-6(7H)-yl)-N-{2-[(4-fluorophényl)sulfonyl]éthyl}acétamide [French] [ACD/IUPAC Name]
2-(10,10-Dimethyl-8,9,10,11-tetrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridecin-6(7H)-yl)-N-{2-[(4-fluorphenyl)sulfonyl]ethyl}acetamid [German] [ACD/IUPAC Name]
5H-Pyrido[2,3-b][1,11,5]benzodioxaazacyclotridecine-6(7H)-acetamide, N-[2-[(4-fluorophenyl)sulfonyl]ethyl]-8,9,10,11-tetrahydro-10,10-dimethyl- [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: 760.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.5±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 263.76
ACD/KOC (pH 5.5): 1783.55
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.04
ACD/KOC (pH 7.4): 2150.56
Polar Surface Area: 106 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 461.9±3.0 cm3

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