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Search term: FCMXOBKPGZCHAZ-HNNXBMFYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Hydroxy-7-{(1R)-1-hydroxy-2-[(3-phenylpropyl)amino]ethyl}-1,3-benzothiazol-2(3H)-one | C18H20N2O3S

4-Hydroxy-7-{(1R)-1-hydroxy-2-[(3-phenylpropyl)amino]ethyl}-1,3-benzothiazol-2(3H)-one

  • Molecular FormulaC18H20N2O3S
  • Average mass344.428 Da
  • Monoisotopic mass344.119476 Da
  • ChemSpider ID25054121

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(3H)-Benzothiazolone, 4-hydroxy-7-[(1R)-1-hydroxy-2-[(3-phenylpropyl)amino]ethyl]- [ACD/Index Name]
4-Hydroxy-7-{(1R)-1-hydroxy-2-[(3-phenylpropyl)amino]ethyl}-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
4-Hydroxy-7-{(1R)-1-hydroxy-2-[(3-phenylpropyl)amino]ethyl}-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
4-Hydroxy-7-{(1R)-1-hydroxy-2-[(3-phénylpropyl)amino]éthyl}-1,3-benzothiazol-2(3H)-one [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.54
Polar Surface Area: 107 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 259.1±3.0 cm3

Click to predict properties on the Chemicalize site


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