ChemSpider 2D Image | (12R)-12-(4-Methoxyphenyl)-2-[(2-naphthyloxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol | C30H22N4O4

(12R)-12-(4-Methoxyphenyl)-2-[(2-naphthyloxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol

  • Molecular FormulaC30H22N4O4
  • Average mass502.520 Da
  • Monoisotopic mass502.164093 Da
  • ChemSpider ID62554848

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(12R)-12-(4-Methoxyphenyl)-2-[(2-naphthyloxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol [German] [ACD/IUPAC Name]
(12R)-12-(4-Methoxyphenyl)-2-[(2-naphthyloxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol [ACD/IUPAC Name]
(12R)-12-(4-Méthoxyphényl)-2-[(2-naphtyloxy)méthyl]-12H-chroméno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol [French] [ACD/IUPAC Name]
12H-[1]Benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol, 12-(4-methoxyphenyl)-2-[(2-naphthalenyloxy)methyl]-, (12R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12231.76
ACD/KOC (pH 5.5): 29326.99
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11201.98
ACD/KOC (pH 7.4): 26857.98
Polar Surface Area: 91 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 356.0±7.0 cm3

Click to predict properties on the Chemicalize site


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