ChemSpider 2D Image | 2-[(6-Chloro-2-pyrazinyl)(4-{2-[(tetrahydro-2-furanylmethyl)amino]-1,3-thiazol-4-yl}phenyl)amino]decanoic acid | C28H36ClN5O3S

2-[(6-Chloro-2-pyrazinyl)(4-{2-[(tetrahydro-2-furanylmethyl)amino]-1,3-thiazol-4-yl}phenyl)amino]decanoic acid

  • Molecular FormulaC28H36ClN5O3S
  • Average mass558.135 Da
  • Monoisotopic mass557.222717 Da
  • ChemSpider ID102875777

More details:

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

2-[(6-Chlor-2-pyrazinyl)(4-{2-[(tetrahydro-2-furanylmethyl)amino]-1,3-thiazol-4-yl}phenyl)amino]decansäure [German] [ACD/IUPAC Name]
2-[(6-Chloro-2-pyrazinyl)(4-{2-[(tetrahydro-2-furanylmethyl)amino]-1,3-thiazol-4-yl}phenyl)amino]decanoic acid [ACD/IUPAC Name]
Acide 2-[(6-chloro-2-pyrazinyl)(4-{2-[(tétrahydro-2-furanylméthyl)amino]-1,3-thiazol-4-yl}phényl)amino]décanoïque [French] [ACD/IUPAC Name]
Decanoic acid, 2-[(6-chloro-2-pyrazinyl)[4-[2-[[(tetrahydro-2-furanyl)methyl]amino]-4-thiazolyl]phenyl]amino]- [ACD/Index 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: 742.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.0±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 2844.68
ACD/KOC (pH 5.5): 2983.31
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 76.46
ACD/KOC (pH 7.4): 80.19
Polar Surface Area: 129 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 439.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement