ChemSpider 2D Image | Ethyl (2Z)-1-(3-isopropoxypropyl)-10-methyl-2-{[(3Z,5E)-3-methyl-4-nitro-3,5,7-octatrienoyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate | C30H35N5O7

Ethyl (2Z)-1-(3-isopropoxypropyl)-10-methyl-2-{[(3Z,5E)-3-methyl-4-nitro-3,5,7-octatrienoyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

  • Molecular FormulaC30H35N5O7
  • Average mass577.628 Da
  • Monoisotopic mass577.253662 Da
  • ChemSpider ID17078756

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-1-(3-Isopropoxypropyl)-10-méthyl-2-{[(3Z,5E)-3-méthyl-4-nitro-3,5,7-octatrienoyl]imino}-5-oxo-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, 1,5-dihydro-10-methyl-1-[3-(1-methylethoxy)propyl]-2-[[(3Z,5E)-3-methyl-4-nitro-1-oxo-3,5,7-octatrien-1-yl]imino]-5-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-1-(3-isopropoxypropyl)-10-methyl-2-{[(3Z,5E)-3-methyl-4-nitro-3,5,7-octatrienoyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-1-(3-isopropoxypropyl)-10-methyl-2-{[(3Z,5E)-3-methyl-4-nitro-3,5,7-octatrienoyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-3-carboxylat [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: 715.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.4±35.7 °C
Index of Refraction: 1.591
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.48
ACD/KOC (pH 5.5): 1485.57
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.48
ACD/KOC (pH 7.4): 1485.57
Polar Surface Area: 147 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 465.0±7.0 cm3

Click to predict properties on the Chemicalize site


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