ChemSpider 2D Image | Methyl 5-(3-pentanyl)-2-({2-[N''-(6-phenyl-3-pyridazinyl)carbamimidamido]phenyl}amino)-1,3-thiazole-4-carboxylate | C27H29N7O2S

Methyl 5-(3-pentanyl)-2-({2-[N''-(6-phenyl-3-pyridazinyl)carbamimidamido]phenyl}amino)-1,3-thiazole-4-carboxylate

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID5244765

More details:

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

4-Thiazolecarboxylic acid, 2-[[2-[[(E)-amino[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl]amino]-5-(1-ethylpropyl)-, methyl ester [ACD/Index Name]
5-(3-Pentanyl)-2-({2-[N''-(6-phényl-3-pyridazinyl)carbamimidamido]phényl}amino)-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(3-pentanyl)-2-({2-[N''-(6-phenyl-3-pyridazinyl)carbamimidamido]phenyl}amino)-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-(3-pentanyl)-2-({2-[N''-(6-phenyl-3-pyridazinyl)carbamimidamido]phenyl}amino)-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.0±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1643.93
ACD/KOC (pH 5.5): 6927.48
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1683.20
ACD/KOC (pH 7.4): 7092.98
Polar Surface Area: 156 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

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