ChemSpider 2D Image | 2-[({2-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}methyl)(methyl)amino]ethanol | C21H26ClN3O2S

2-[({2-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}methyl)(methyl)amino]ethanol

  • Molecular FormulaC21H26ClN3O2S
  • Average mass419.968 Da
  • Monoisotopic mass419.143433 Da
  • ChemSpider ID26346770

More details:

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

2-[({2-[7-Chlor-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}methyl)(methyl)amino]ethanol [German] [ACD/IUPAC Name]
2-[({2-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}methyl)(methyl)amino]ethanol [ACD/IUPAC Name]
2-[({2-[7-Chloro-1-(tétrahydro-2H-pyran-4-ylméthyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}méthyl)(méthyl)amino]éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[[2-[7-chloro-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl]-4-thiazolyl]methyl]methylamino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.1±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 39.07
ACD/KOC (pH 5.5): 233.80
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 427.38
ACD/KOC (pH 7.4): 2557.69
Polar Surface Area: 79 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 309.5±7.0 cm3

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