ChemSpider 2D Image | Methyl 3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]propanoate | C23H27N3O7

Methyl 3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC23H27N3O7
  • Average mass457.476 Da
  • Monoisotopic mass457.184906 Da
  • ChemSpider ID32514537

More details:






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

1H-Benzimidazole-5-propanoic acid, 2,3-dihydro-β-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]-1,3-dimethyl-2-oxo-, methyl ester [ACD/Index Name]
3-(1,3-Diméthyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[3-hydroxy-6-(4-morpholinylméthyl)-4-oxo-4H-pyran-2-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Methyl-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1630905-07-5 [RN]
C23H27N3O7
methyl 3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxo-4H-pyran-2-yl]propanoate
methyl 3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-3-(3-hydroxy-6-(morpholinomethyl)-4-oxo-4H-pyran-2-yl)propanoate
methyl 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]propanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.2±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.32
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 48.04
Polar Surface Area: 109 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 333.5±3.0 cm3

Click to predict properties on the Chemicalize site






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