ChemSpider 2D Image | 2-[{4-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}(4-{2-[(tetrahydro-2-furanylmethyl)amino]-1,3-thiazol-4-yl}phenyl)amino]decanoic acid | C36H46N6O5S2

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

  • Molecular FormulaC36H46N6O5S2
  • Average mass706.918 Da
  • Monoisotopic mass706.297119 Da
  • ChemSpider ID102793948

More details:

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

2-[{4-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}(4-{2-[(tetrahydro-2-furanylmethyl)amino]-1,3-thiazol-4-yl}phenyl)amino]decanoic acid [ACD/IUPAC Name]
2-[{4-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}(4-{2-[(tetrahydro-2-furanylmethyl)amino]-1,3-thiazol-4-yl}phenyl)amino]decansäure [German] [ACD/IUPAC Name]
Acide 2-[{4-[(4,6-diméthyl-2-pyrimidinyl)sulfamoyl]phényl}(4-{2-[(tétrahydro-2-furanylméthyl)amino]-1,3-thiazol-4-yl}phényl)amino]décanoïque [French] [ACD/IUPAC Name]
Decanoic acid, 2-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl][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: 894.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.1±3.0 kJ/mol
Flash Point: 494.5±37.1 °C
Index of Refraction: 1.618
Molar Refractivity: 192.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 7423.23
ACD/KOC (pH 5.5): 6471.71
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 122.85
ACD/KOC (pH 7.4): 107.10
Polar Surface Area: 183 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 548.9±3.0 cm3

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