ChemSpider 2D Image | fumiquinazoline D | C24H21N5O4

fumiquinazoline D

  • Molecular FormulaC24H21N5O4
  • Average mass443.455 Da
  • Monoisotopic mass443.159363 Da
  • ChemSpider ID68004041

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1'R,2S,9R,9aS,12'R)-2,12'-Dimethyl-1,9a-dihydro-3'H,16'H-spiro[imidazo[1,2-a]indole-9,14'-[13]oxa[2,10,17]triazatetracyclo[10.3.2.02,11.04,9]heptadeca[4,6,8,10]tetraene]-3,3',16'(2H)-trione [ACD/IUPAC Name]
140715-86-2 [RN]
fumiquinazoline D
(1R,2'S,3'As,12R,14R)-2',12-dimethylspiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione
(1'R,2S,3'S,5'S,9aS)-1,4',5',9a-tetrahydro-1',2-dimethyl-spiro[9H-imidazo[1,2-a]indole-9,3'-[1,5](iminomethano)[3H][1,4]oxazepino[3,4-b]quinazoline]-3,7',13'(1'H,2H)-trione

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.850
Molar Refractivity: 117.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 66.15
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.01
ACD/KOC (pH 7.4): 125.29
Polar Surface Area: 103 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 76.9±7.0 dyne/cm
Molar Volume: 262.0±7.0 cm3

Click to predict properties on the Chemicalize site


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