ChemSpider 2D Image | 3-Phenyl-3-{[6-(4-pyridinyl)-1,3-benzothiazol-2-yl]amino}-1-propanol | C21H19N3OS

3-Phenyl-3-{[6-(4-pyridinyl)-1,3-benzothiazol-2-yl]amino}-1-propanol

  • Molecular FormulaC21H19N3OS
  • Average mass361.460 Da
  • Monoisotopic mass361.124878 Da
  • ChemSpider ID24808917

More details:

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

3-Phenyl-3-{[6-(4-pyridinyl)-1,3-benzothiazol-2-yl]amino}-1-propanol [German] [ACD/IUPAC Name]
3-Phenyl-3-{[6-(4-pyridinyl)-1,3-benzothiazol-2-yl]amino}-1-propanol [ACD/IUPAC Name]
3-Phényl-3-{[6-(4-pyridinyl)-1,3-benzothiazol-2-yl]amino}-1-propanol [French] [ACD/IUPAC Name]
Benzenepropanol, γ-[[6-(4-pyridinyl)-2-benzothiazolyl]amino]- [ACD/Index Name]
Kinome_1148

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.4±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 623.04
ACD/KOC (pH 5.5): 3445.51
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 646.72
ACD/KOC (pH 7.4): 3576.45
Polar Surface Area: 86 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

Click to predict properties on the Chemicalize site


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