Found 63 results

Search term: MF = 'C_{22}H_{27}N_{9}O_{5}'
ChemSpider 2D Image | 4-{[(5,7-Diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}-N-[(2Z,4E)-1,5-diethoxy-1,5-dihydroxy-4-penten-2-ylidene]benzamide | C22H27N9O5

4-{[(5,7-Diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}-N-[(2Z,4E)-1,5-diethoxy-1,5-dihydroxy-4-penten-2-ylidene]benzamide

  • Molecular FormulaC22H27N9O5
  • Average mass497.507 Da
  • Monoisotopic mass497.213501 Da
  • ChemSpider ID95715017

More details:

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

4-{[(5,7-Diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}-N-[(2Z,4E)-1,5-diethoxy-1,5-dihydroxy-4-penten-2-yliden]benzamid [German] [ACD/IUPAC Name]
4-{[(5,7-Diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}-N-[(2Z,4E)-1,5-diethoxy-1,5-dihydroxy-4-penten-2-ylidene]benzamide [ACD/IUPAC Name]
4-{[(5,7-Diaminopyrimido[5,4-e][1,2,4]triazin-3-yl)méthyl]amino}-N-[(2Z,4E)-1,5-diéthoxy-1,5-dihydroxy-4-pentén-2-ylidène]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(5,7-diaminopyrimido[5,4-e]-1,2,4-triazin-3-yl)methyl]amino]-N-[(1Z,3E)-4-ethoxy-1-(ethoxyhydroxymethyl)-4-hydroxy-3-buten-1-ylidene]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 819.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.2±37.1 °C
Index of Refraction: 1.691
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 42.41
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 42.22
Polar Surface Area: 217 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 330.3±7.0 cm3

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