ChemSpider 2D Image | Ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C35H40N4O6

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

  • Molecular FormulaC35H40N4O6
  • Average mass612.715 Da
  • Monoisotopic mass612.294800 Da
  • ChemSpider ID22684534

More details:

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

1-Éthyl-6-{[4-(3-méthoxybenzoyl)-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, 1-ethyl-6-[[hexahydro-4-(3-methoxybenzoyl)-1H-1,4-diazepin-1-yl]methyl]-1,2,3,4-tetrahydro-2-oxo-4-(3-phenoxyphenyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-ethyl-6-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-ethyl-6-{[4-(3-methoxybenzoyl)-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: 786.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.2±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 170.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 10.38
ACD/KOC (pH 5.5): 36.85
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 526.26
ACD/KOC (pH 7.4): 1868.16
Polar Surface Area: 101 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 506.7±3.0 cm3

Click to predict properties on the Chemicalize site


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