ChemSpider 2D Image | 1-{5-[(E)-(3-Fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl]-1-[(2R)-1-(4-morpholinyl)-2-propanyl]-1H-benzimidazol-2-yl}urea | C30H30FN5O3

1-{5-[(E)-(3-Fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl]-1-[(2R)-1-(4-morpholinyl)-2-propanyl]-1H-benzimidazol-2-yl}urea

  • Molecular FormulaC30H30FN5O3
  • Average mass527.589 Da
  • Monoisotopic mass527.233276 Da
  • ChemSpider ID29361352

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{5-[(E)-(3-Fluordibenzo[b,e]oxepin-11(6H)-yliden)methyl]-1-[(2R)-1-(4-morpholinyl)-2-propanyl]-1H-benzimidazol-2-yl}harnstoff [German] [ACD/IUPAC Name]
1-{5-[(E)-(3-Fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl]-1-[(2R)-1-(4-morpholinyl)-2-propanyl]-1H-benzimidazol-2-yl}urea [ACD/IUPAC Name]
1-{5-[(E)-(3-Fluorodibenzo[b,e]oxépin-11(6H)-ylidène)méthyl]-1-[(2R)-1-(4-morpholinyl)-2-propanyl]-1H-benzimidazol-2-yl}urée [French] [ACD/IUPAC Name]
Urea, N-[5-[(E)-(3-fluorodibenz[b,e]oxepin-11(6H)-ylidene)methyl]-1-[(1R)-1-methyl-2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl]- [ACD/Index Name]
(E)-1-(5-((E)-(3-fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-1-((R)-1-morpholinopropan-2-yl)-1H-benzo[d]imidazol-2(3H)-ylidene)urea
1-((E)-5-((E)-(3-fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-1-((R)-1-morpholinopropan-2-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-ylidene)urea
1162264-07-4 [RN]
Ly-2623091
LY2623091

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.3±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 31.99
ACD/KOC (pH 5.5): 174.85
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 536.48
ACD/KOC (pH 7.4): 2932.17
Polar Surface Area: 92 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 383.8±7.0 cm3

Click to predict properties on the Chemicalize site


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