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Search term: XKPYPFGENRUJRY-KNMWRUGTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R)-N-(Adamantan-1-yl)-3-benzyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide | C29H30N2O3

(3R)-N-(Adamantan-1-yl)-3-benzyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

  • Molecular FormulaC29H30N2O3
  • Average mass454.560 Da
  • Monoisotopic mass454.225647 Da
  • ChemSpider ID28640487

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(3R)-N-(Adamantan-1-yl)-3-benzyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]chinolin-6-carboxamid [German] [ACD/IUPAC Name]
(3R)-N-(Adamantan-1-yl)-3-benzyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoléine-6-carboxamide [French] [ACD/IUPAC Name]
(3R)-N-(Adamantan-1-yl)-3-benzyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide [ACD/IUPAC Name]
7H-1,4-Oxazino[2,3,4-ij]quinoline-6-carboxamide, 2,3-dihydro-7-oxo-3-(phenylmethyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-, (3R)- [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: 655.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1004.17
ACD/KOC (pH 5.5): 4901.10
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1004.13
ACD/KOC (pH 7.4): 4900.88
Polar Surface Area: 59 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 341.5±5.0 cm3

Click to predict properties on the Chemicalize site


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