ChemSpider 2D Image | Diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate | C27H33N4O5P

Diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate

  • Molecular FormulaC27H33N4O5P
  • Average mass524.549 Da
  • Monoisotopic mass524.218872 Da
  • ChemSpider ID29418284

More details:

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

({4-[2-(11-Éthyl-5-méthyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazépin-8-yl)éthyl]phénoxy}méthyl)phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate [ACD/IUPAC Name]
Diethyl-({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[[4-[2-(11-ethyl-6,11-dihydro-5-methyl-6-oxo-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy]methyl]-, diethyl ester [ACD/Index Name]
NVE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.7±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.78
ACD/KOC (pH 5.5): 685.79
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.85
ACD/KOC (pH 7.4): 697.12
Polar Surface Area: 104 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 426.9±3.0 cm3

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