ChemSpider 2D Image | 2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide | C30H33N3O6S

2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide

  • Molecular FormulaC30H33N3O6S
  • Average mass563.664 Da
  • Monoisotopic mass563.208984 Da
  • ChemSpider ID34504471

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
N-(4-Biphenylylmethyl)-2-{(2R,4aR,12aR)-5-methyl-8-[(methylsulfonyl)amino]-6-oxo-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-2-yl}acetamid [German] [ACD/IUPAC Name]
N-(4-Biphenylylmethyl)-2-{(2R,4aR,12aR)-5-methyl-8-[(methylsulfonyl)amino]-6-oxo-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-2-yl}acetamide [ACD/IUPAC Name]
N-(4-Biphénylylméthyl)-2-{(2R,4aR,12aR)-5-méthyl-8-[(méthylsulfonyl)amino]-6-oxo-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-2-yl}acétamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c][1,5]benzoxazocine-2-acetamide, N-([1,1'-biphenyl]-4-ylmethyl)-2,3,4,4a,5,6,12,12a-octahydro-5-methyl-8-[(methylsulfonyl)amino]-6-oxo-, (2R,4aR,12aR)- [ACD/Index 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: 1.604
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.44
ACD/KOC (pH 5.5): 1040.83
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 88.81
ACD/KOC (pH 7.4): 800.66
Polar Surface Area: 122 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 439.8±3.0 cm3

Click to predict properties on the Chemicalize site


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