ChemSpider 2D Image | 1-(1H-Benzimidazol-2-ylmethyl)-5-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}-3-hydroxy-4-(4-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C32H27N5O8

1-(1H-Benzimidazol-2-ylmethyl)-5-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}-3-hydroxy-4-(4-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H27N5O8
  • Average mass609.586 Da
  • Monoisotopic mass609.185974 Da
  • ChemSpider ID117937061

More details:

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

1-(1H-Benzimidazol-2-ylmethyl)-5-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}-3-hydroxy-4-(4-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(1H-Benzimidazol-2-ylmethyl)-5-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}-3-hydroxy-4-(4-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(1H-Benzimidazol-2-ylméthyl)-5-{4-[(3,5-diméthyl-1,2-oxazol-4-yl)méthoxy]-3-méthoxyphényl}-3-hydroxy-4-(4-nitrobenzoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(1H-benzimidazol-2-ylmethyl)-5-[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxyphenyl]-1,5-dihydro-3-hydroxy-4-(4-nitrobenzoyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 910.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.7±3.0 kJ/mol
Flash Point: 504.6±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 161.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 13.45
ACD/KOC (pH 5.5): 97.76
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.86
Polar Surface Area: 177 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 76.2±3.0 dyne/cm
Molar Volume: 416.8±3.0 cm3

Click to predict properties on the Chemicalize site


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