ChemSpider 2D Image | Ethyl 19-methoxy-15-(3-methylbutyl)-4,12-dioxo-8-[(4-oxo-3(4H)-quinazolinyl)acetyl]-2-oxa-5,8,13-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carboxylate | C36H47N5O8

Ethyl 19-methoxy-15-(3-methylbutyl)-4,12-dioxo-8-[(4-oxo-3(4H)-quinazolinyl)acetyl]-2-oxa-5,8,13-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carboxylate

  • Molecular FormulaC36H47N5O8
  • Average mass677.787 Da
  • Monoisotopic mass677.342468 Da
  • ChemSpider ID81377653

More details:

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

19-Méthoxy-15-(3-méthylbutyl)-4,12-dioxo-8-[2-(4-oxo-3(4H)-quinazolinyl)acétyl]-2-oxa-5,8,13-triazabicyclo[15.2.2]hénicosa-1(19),17,20-triène-15-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Oxa-5,8,13-triazabicyclo[15.2.2]heneicosa-17,19,20-triene-15-carboxylic acid, 19-methoxy-15-(3-methylbutyl)-4,12-dioxo-8-[2-(4-oxo-3(4H)-quinazolinyl)acetyl]-, ethyl ester [ACD/Index Name]
Ethyl 19-methoxy-15-(3-methylbutyl)-4,12-dioxo-8-[(4-oxo-3(4H)-quinazolinyl)acetyl]-2-oxa-5,8,13-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carboxylate [ACD/IUPAC Name]
Ethyl-19-methoxy-15-(3-methylbutyl)-4,12-dioxo-8-[(4-oxo-3(4H)-chinazolinyl)acetyl]-2-oxa-5,8,13-triazabicyclo[15.2.2]henicosa-1(19),17,20-trien-15-carboxylat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 183.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 57.12
ACD/KOC (pH 5.5): 629.69
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 57.12
ACD/KOC (pH 7.4): 629.70
Polar Surface Area: 156 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 540.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement