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

Ethyl 4-(2,5-dimethylphenyl)-1-methyl-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 ID22641452

More details:

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

4-(2,5-Diméthylphényl)-1-méthyl-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]-4-(2,5-dimethylphenyl)-1,2,3,4-tetrahydro-1-methyl-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(2,5-dimethylphenyl)-1-methyl-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-4-(2,5-dimethylphenyl)-1-methyl-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: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 32.86
ACD/KOC (pH 7.4): 241.48
Polar Surface Area: 94 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 439.7±3.0 cm3

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