ChemSpider 2D Image | Ethyl 1-methyl-6-({4-[(2-methyl-2-propanyl)carbamoyl]-1,4-diazepan-1-yl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C31H41N5O5

Ethyl 1-methyl-6-({4-[(2-methyl-2-propanyl)carbamoyl]-1,4-diazepan-1-yl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID22640123

More details:

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

1-Méthyl-6-({4-[(2-méthyl-2-propanyl)carbamoyl]-1,4-diazépan-1-yl}méthyl)-2-oxo-4-(3-phénoxyphényl)-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]hexahydro-1H-1,4-diazepin-1-yl]methyl]-1,2,3,4-tetrahydro-1-methyl-2-oxo-4-(3-phenoxyphenyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-methyl-6-({4-[(2-methyl-2-propanyl)carbamoyl]-1,4-diazepan-1-yl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-methyl-6-({4-[(2-methyl-2-propanyl)carbamoyl]-1,4-diazepan-1-yl}methyl)-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 9.34
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 80.90
ACD/KOC (pH 7.4): 462.71
Polar Surface Area: 103 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 477.8±3.0 cm3

Click to predict properties on the Chemicalize site


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