ChemSpider 2D Image | Ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C21H26N4O7

Ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC21H26N4O7
  • Average mass446.454 Da
  • Monoisotopic mass446.180145 Da
  • ChemSpider ID26030655

More details:

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

5-Pyrimidinecarboxylic acid, 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-1,2,3,4-tetrahydro-4-(4-nitrophenyl)-2-oxo-, ethyl ester [ACD/Index Name]
6-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)-4-(4-nitrophényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
6-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-ylmethyl)-4-(4-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.23
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 7.43
ACD/KOC (pH 7.4): 51.94
Polar Surface Area: 135 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 317.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement