ChemSpider 2D Image | 2-(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl 2-(adamantan-1-ylcarbamoyl)benzoate | C32H34N2O4

2-(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl 2-(adamantan-1-ylcarbamoyl)benzoate

  • Molecular FormulaC32H34N2O4
  • Average mass510.623 Da
  • Monoisotopic mass510.251862 Da
  • ChemSpider ID2720439

More details:






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

2-(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl 2-(adamantan-1-ylcarbamoyl)benzoate [ACD/IUPAC Name]
2-(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl-2-(adamantan-1-ylcarbamoyl)benzoat [German] [ACD/IUPAC Name]
2-(Adamantan-1-ylcarbamoyl)benzoate de 2-(2,5-diméthyl-1-phényl-1H-pyrrol-3-yl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]-, 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 728.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.6±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 145.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16415.87
ACD/KOC (pH 5.5): 36213.72
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16415.87
ACD/KOC (pH 7.4): 36213.72
Polar Surface Area: 77 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 393.4±7.0 cm3

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