ChemSpider 2D Image | Ethyl 1-ethyl-4-(3-methylphenyl)-6-({4-[(2-methyl-2-propanyl)carbamoyl]-1,4-diazepan-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H41N5O4

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

  • Molecular FormulaC27H41N5O4
  • Average mass499.646 Da
  • Monoisotopic mass499.315857 Da
  • ChemSpider ID22684700

More details:

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

1-Éthyl-4-(3-méthylphényl)-6-({4-[(2-méthyl-2-propanyl)carbamoyl]-1,4-diazépan-1-yl}méthyl)-2-oxo-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-ethyl-1,2,3,4-tetrahydro-4-(3-methylphenyl)-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 1-ethyl-4-(3-methylphenyl)-6-({4-[(2-methyl-2-propanyl)carbamoyl]-1,4-diazepan-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-ethyl-4-(3-methylphenyl)-6-({4-[(2-methyl-2-propanyl)carbamoyl]-1,4-diazepan-1-yl}methyl)-2-oxo-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: 1.1±0.1 g/cm3
Boiling Point: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 11.89
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 79.51
ACD/KOC (pH 7.4): 573.97
Polar Surface Area: 94 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 441.1±3.0 cm3

Click to predict properties on the Chemicalize site


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