ChemSpider 2D Image | Ethyl (2Z)-2-{[4-(2-methyl-2-propanyl)benzoyl]imino}-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate | C33H32N4O4

Ethyl (2Z)-2-{[4-(2-methyl-2-propanyl)benzoyl]imino}-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

  • Molecular FormulaC33H32N4O4
  • Average mass548.632 Da
  • Monoisotopic mass548.242371 Da
  • ChemSpider ID30808244

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[4-(2-Méthyl-2-propanyl)benzoyl]imino}-5-oxo-1-(2-phényléthyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylic acid, 2-[[4-(1,1-dimethylethyl)benzoyl]imino]-1,5-dihydro-5-oxo-1-(2-phenylethyl)-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-2-{[4-(2-methyl-2-propanyl)benzoyl]imino}-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-2-{[4-(2-methyl-2-propanyl)benzoyl]imino}-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-3-carboxylat [German] [ACD/IUPAC Name]
(Z)-ethyl 2-((4-(tert-butyl)benzoyl)imino)-5-oxo-1-phenethyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.4±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 159.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1662.22
ACD/KOC (pH 5.5): 7030.17
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1662.22
ACD/KOC (pH 7.4): 7030.20
Polar Surface Area: 92 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 451.6±7.0 cm3

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