ChemSpider 2D Image | 4-[(2-{[(1R,2S)-2-Hydroxycyclohexyl]amino}-1,3-benzothiazol-6-yl)oxy]-N-methyl-2-pyridinecarboxamide | C20H22N4O3S

4-[(2-{[(1R,2S)-2-Hydroxycyclohexyl]amino}-1,3-benzothiazol-6-yl)oxy]-N-methyl-2-pyridinecarboxamide

  • Molecular FormulaC20H22N4O3S
  • Average mass398.479 Da
  • Monoisotopic mass398.141266 Da
  • ChemSpider ID60959026

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxamide, 4-[[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]-6-benzothiazolyl]oxy]-N-methyl- [ACD/Index Name]
4-[(2-{[(1R,2S)-2-Hydroxycyclohexyl]amino}-1,3-benzothiazol-6-yl)oxy]-N-methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
4-[(2-{[(1R,2S)-2-Hydroxycyclohexyl]amino}-1,3-benzothiazol-6-yl)oxy]-N-methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
4-[(2-{[(1R,2S)-2-Hydroxycyclohexyl]amino}-1,3-benzothiazol-6-yl)oxy]-N-méthyl-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-6-benzothiazolyl]oxy]-N-methyl-2-pyridinecarboxamide
953769-46-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 27.97
ACD/KOC (pH 5.5): 377.25
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.08
ACD/KOC (pH 7.4): 378.71
Polar Surface Area: 125 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 289.4±3.0 cm3

Click to predict properties on the Chemicalize site


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