ChemSpider 2D Image | Ethyl 15-(cyclopropylmethyl)-8-(3-fluoroisonicotinoyl)-20-methoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate | C31H39FN4O7

Ethyl 15-(cyclopropylmethyl)-8-(3-fluoroisonicotinoyl)-20-methoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate

  • Molecular FormulaC31H39FN4O7
  • Average mass598.662 Da
  • Monoisotopic mass598.280273 Da
  • ChemSpider ID81372390

More details:

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

15-(Cyclopropylméthyl)-8-(3-fluoroisonicotinoyl)-20-méthoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]hénicosa-1(21),17,19-triène-15-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Oxa-5,8,13-triazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-15-carboxylic acid, 15-(cyclopropylmethyl)-8-[(3-fluoro-4-pyridinyl)carbonyl]-20-methoxy-4,12-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 15-(cyclopropylmethyl)-8-(3-fluoroisonicotinoyl)-20-methoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate [ACD/IUPAC Name]
Ethyl-15-(cyclopropylmethyl)-8-(3-fluorisonicotinoyl)-20-methoxy-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-trien-15-carboxylat [German] [ACD/IUPAC 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: 826.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.8±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.57
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.97
ACD/KOC (pH 5.5): 125.04
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 125.08
Polar Surface Area: 136 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 496.4±3.0 cm3

Click to predict properties on the Chemicalize site


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