ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-({2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl}amino)-1-oxo-2-propanyl]-3-(1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzamide | C44H41N3O6S2

N-[3-(Benzylsulfanyl)-1-({2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl}amino)-1-oxo-2-propanyl]-3-(1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzamide

  • Molecular FormulaC44H41N3O6S2
  • Average mass771.943 Da
  • Monoisotopic mass771.243652 Da
  • ChemSpider ID121067829

More details:

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

Benzamide, N-[2-[[2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-3-(1H-naphth[1,2-e][1,3]oxazin-2(3H)-yl)- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-({2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl}amino)-1-oxo-2-propanyl]-3-(1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-({2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl}amino)-1-oxo-2-propanyl]-3-(1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-({2-[(4-méthoxyphényl)sulfonyl]-2-phényléthyl}amino)-1-oxo-2-propanyl]-3-(1H-naphto[1,2-e][1,3]oxazin-2(3H)-yl)benzamide [French] [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: 1028.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.6±3.0 kJ/mol
Flash Point: 575.9±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 219.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 67301.96
ACD/KOC (pH 5.5): 99421.63
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 67302.70
ACD/KOC (pH 7.4): 99422.72
Polar Surface Area: 148 Å2
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 592.2±3.0 cm3

Click to predict properties on the Chemicalize site


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