ChemSpider 2D Image | Oxaline | C24H25N5O4

Oxaline

  • Molecular FormulaC24H25N5O4
  • Average mass447.486 Da
  • Monoisotopic mass447.190643 Da
  • ChemSpider ID30657756

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3E,7aR,12aS)-3-(1H-Imidazol-4-ylmethylen)-6,12-dimethoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indol-2,5(3H)-dion [German] [ACD/IUPAC Name]
(3E,7aR,12aS)-3-(1H-Imidazol-4-ylmethylene)-6,12-dimethoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione [ACD/IUPAC Name]
(3E,7aR,12aS)-3-(1H-Imidazol-4-ylméthylène)-6,12-diméthoxy-7a-(2-méthyl-3-butén-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione [French] [ACD/IUPAC Name]
1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-3-(1H-imidazol-5-ylmethylene)-6,12-dimethoxy-, (3E,7aR,12aS)- [ACD/Index Name]
55623-37-5 [RN]
Oxaline [Wiki]
(3E,7aR,12aS)-7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-3-(1H-imidazol-5-ylmethylene)-6,12-dimethoxy-1H,5H-imidazo[1′,2′:1,2]pyrido[2,3-b]indole-2,5(3H)-dione

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: 1.681
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.52
ACD/KOC (pH 5.5): 208.74
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.33
ACD/KOC (pH 7.4): 222.13
Polar Surface Area: 100 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 319.2±5.0 cm3

Click to predict properties on the Chemicalize site


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