Found 5 results

Search term: MF = 'C_{37}H_{31}NO_{5}S'
ChemSpider 2D Image | 2-(4-Biphenylyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)butanoate | C37H31NO5S

2-(4-Biphenylyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)butanoate

  • Molecular FormulaC37H31NO5S
  • Average mass601.711 Da
  • Monoisotopic mass601.192322 Da
  • ChemSpider ID108343793

More details:

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

2-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadéca-2,4,6,9,11,13-hexaén-17-yl)-4-(méthylsulfanyl)butanoate de 2-(4-biphénylyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
2-(4-Biphenylyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)butanoate [ACD/IUPAC Name]
2-(4-Biphenylyl)-2-oxoethyl-2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)butanoat [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: 835.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 459.0±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 7.42
ACD/BCF (pH 5.5): 256073.30
ACD/KOC (pH 5.5): 258750.89
ACD/LogD (pH 7.4): 7.42
ACD/BCF (pH 7.4): 256073.30
ACD/KOC (pH 7.4): 258750.89
Polar Surface Area: 106 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 461.1±3.0 cm3

Click to predict properties on the Chemicalize site


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