ChemSpider 2D Image | N-{(3S,7S,8aS)-3-[2-(Dimethylamino)-2-oxoethyl]hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl}-3-(1H-tetrazol-1-yl)propanamide | C15H25N7O3

N-{(3S,7S,8aS)-3-[2-(Dimethylamino)-2-oxoethyl]hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl}-3-(1H-tetrazol-1-yl)propanamide

  • Molecular FormulaC15H25N7O3
  • Average mass351.404 Da
  • Monoisotopic mass351.201874 Da
  • ChemSpider ID103863148

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Pyrrolo[2,1-c][1,4]oxazine-3-acetamide, hexahydro-N,N-dimethyl-7-[[1-oxo-3-(1H-tetrazol-1-yl)propyl]amino]-, (3S,7S,8aS)- [ACD/Index Name]
N-{(3S,7S,8aS)-3-[2-(Dimethylamino)-2-oxoethyl]hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl}-3-(1H-tetrazol-1-yl)propanamid [German] [ACD/IUPAC Name]
N-{(3S,7S,8aS)-3-[2-(Dimethylamino)-2-oxoethyl]hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl}-3-(1H-tetrazol-1-yl)propanamide [ACD/IUPAC Name]
N-{(3S,7S,8aS)-3-[2-(Diméthylamino)-2-oxoéthyl]hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl}-3-(1H-tétrazol-1-yl)propanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.41
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 105 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 239.1±7.0 cm3

Click to predict properties on the Chemicalize site


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