ChemSpider 2D Image | 6-(1-Azepanylsulfonyl)-4-[2-(4-benzyl-1-piperidinyl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one | C28H35N3O5S

6-(1-Azepanylsulfonyl)-4-[2-(4-benzyl-1-piperidinyl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC28H35N3O5S
  • Average mass525.660 Da
  • Monoisotopic mass525.229736 Da
  • ChemSpider ID20279298

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]- [ACD/Index Name]
6-(1-Azepanylsulfonyl)-4-[2-(4-benzyl-1-piperidinyl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-(1-Azepanylsulfonyl)-4-[2-(4-benzyl-1-piperidinyl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-(1-Azépanylsulfonyl)-4-[2-(4-benzyl-1-pipéridinyl)-2-oxoéthyl]-2H-1,4-benzoxazin-3(4H)-one [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: 776.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.4±35.7 °C
Index of Refraction: 1.606
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 544.26
ACD/KOC (pH 5.5): 3161.48
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 544.26
ACD/KOC (pH 7.4): 3161.49
Polar Surface Area: 96 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 411.0±3.0 cm3

Click to predict properties on the Chemicalize site


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