ChemSpider 2D Image | Ethyl 6-{[(1,3-benzodioxol-5-ylmethyl)(4-methoxybenzoyl)amino]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C31H31N3O8

Ethyl 6-{[(1,3-benzodioxol-5-ylmethyl)(4-methoxybenzoyl)amino]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC31H31N3O8
  • Average mass573.593 Da
  • Monoisotopic mass573.211121 Da
  • ChemSpider ID4463656

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[(1,3-benzodioxol-5-ylmethyl)(4-methoxybenzoyl)amino]methyl]-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-, ethyl ester [ACD/Index Name]
6-{[(1,3-Benzodioxol-5-ylméthyl)(4-méthoxybenzoyl)amino]méthyl}-4-(4-méthoxyphényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[(1,3-benzodioxol-5-ylmethyl)(4-methoxybenzoyl)amino]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl 6-{[(1,3-benzodioxol-5-ylmethyl)(4-methoxybenzoyl)amino]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Ethyl-6-{[(1,3-benzodioxol-5-ylmethyl)(4-methoxybenzoyl)amino]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
6-{[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzoyl)-amino]-methyl}-4-(4-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
ethyl 4-{[N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)(4-methoxyphenyl)carbonylamino]methyl}-6-(4-methoxyphenyl)-2-oxo-1,3,6-trihydropyrimidine-5-carboxylate
ethyl 6-({(1,3-benzodioxol-5-ylmethyl)[(4-methoxyphenyl)carbonyl]amino}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

A4008/0170908 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.3±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 348.74
ACD/KOC (pH 5.5): 2298.92
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 348.49
ACD/KOC (pH 7.4): 2297.29
Polar Surface Area: 125 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 443.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement