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Search term: QTWVYUJFBIVOHT-BPQIPLTHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-[(1R)-2-{[(1R,2R)-2-(Benzyloxy)cyclopentyl]amino}-1-hydroxyethyl]-4-hydroxy-1,3-benzothiazol-2(3H)-one | C21H24N2O4S

7-[(1R)-2-{[(1R,2R)-2-(Benzyloxy)cyclopentyl]amino}-1-hydroxyethyl]-4-hydroxy-1,3-benzothiazol-2(3H)-one

  • Molecular FormulaC21H24N2O4S
  • Average mass400.491 Da
  • Monoisotopic mass400.145691 Da
  • ChemSpider ID25049957

  • defined stereocentres - 3 of 3 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-[[(1R,2R)-2-(phenylmethoxy)cyclopentyl]amino]ethyl]- [ACD/Index Name]
7-[(1R)-2-{[(1R,2R)-2-(Benzyloxy)cyclopentyl]amino}-1-hydroxyethyl]-4-hydroxy-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
7-[(1R)-2-{[(1R,2R)-2-(Benzyloxy)cyclopentyl]amino}-1-hydroxyethyl]-4-hydroxy-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
7-[(1R)-2-{[(1R,2R)-2-(Benzyloxy)cyclopentyl]amino}-1-hydroxyéthyl]-4-hydroxy-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 29.93
Polar Surface Area: 116 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 286.9±5.0 cm3

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