ChemSpider 2D Image | Ethyl 15-(cyclopropylmethyl)-20-methoxy-8-[4-(methylsulfonyl)benzyl]-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxylate | C33H45N3O8S

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

  • Molecular FormulaC33H45N3O8S
  • Average mass643.791 Da
  • Monoisotopic mass643.292725 Da
  • ChemSpider ID81377295

More details:

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

15-(Cyclopropylméthyl)-20-méthoxy-8-[4-(méthylsulfonyl)benzyl]-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)-20-methoxy-8-[[4-(methylsulfonyl)phenyl]methyl]-4,12-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 15-(cyclopropylmethyl)-20-methoxy-8-[4-(methylsulfonyl)benzyl]-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)-20-methoxy-8-[4-(methylsulfonyl)benzyl]-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: 854.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 470.7±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 170.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.16
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 12.32
ACD/KOC (pH 7.4): 177.46
Polar Surface Area: 149 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 542.0±3.0 cm3

Click to predict properties on the Chemicalize site


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