ChemSpider 2D Image | (4R,4a'S,10a'S)-7'-(5-Chloro-3-pyridinyl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine | C19H18ClN3O3

(4R,4a'S,10a'S)-7'-(5-Chloro-3-pyridinyl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine

  • Molecular FormulaC19H18ClN3O3
  • Average mass371.818 Da
  • Monoisotopic mass371.103668 Da
  • ChemSpider ID34250310
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4R,4a'S,10a'S)-7'-(5-Chloro-3-pyridinyl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine [ACD/IUPAC Name]
(4r,4a's,10a's)-7'-(5-Chloropyridin-3-Yl)-3',4',4a',10a'-Tetrahydro-1'h-Spiro[1,3-Oxazole-4,5'-Pyrano[3,4-B]chromen]-2-Amine
Spiro[oxazole-4(5H),5'(1'H)-pyrano[3,4-b][1]benzopyran]-2-amine, 7'-(5-chloro-3-pyridinyl)-3',4',4'a,10'a-tetrahydro-, (4R,4a'S,10a'S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 590.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.7±32.9 °C
Index of Refraction: 1.734
Molar Refractivity: 94.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.30
ACD/KOC (pH 5.5): 928.24
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.01
ACD/KOC (pH 7.4): 953.59
Polar Surface Area: 79 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 236.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement