Found 1 result

Search term: LMKMYJGZBLESNG-BJJXKVORSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-{(1R)-2-[(1S,2R)-1,1'-Bi(cyclopentyl)-2-ylamino]-1-hydroxyethyl}-4-hydroxy-1,3-benzothiazol-2(3H)-one | C19H26N2O3S

7-{(1R)-2-[(1S,2R)-1,1'-Bi(cyclopentyl)-2-ylamino]-1-hydroxyethyl}-4-hydroxy-1,3-benzothiazol-2(3H)-one

  • Molecular FormulaC19H26N2O3S
  • Average mass362.486 Da
  • Monoisotopic mass362.166412 Da
  • ChemSpider ID25053609

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(3H)-Benzothiazolone, 7-[(1R)-2-[(1S,2R)-[1,1'-bicyclopentyl]-2-ylamino]-1-hydroxyethyl]-4-hydroxy- [ACD/Index Name]
7-{(1R)-2-[(1S,2R)-1,1'-Bi(cyclopentyl)-2-ylamino]-1-hydroxyethyl}-4-hydroxy-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
7-{(1R)-2-[(1S,2R)-1,1'-Bi(cyclopentyl)-2-ylamino]-1-hydroxyethyl}-4-hydroxy-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
7-{(1R)-2-[(1S,2R)-1,1'-Bi(cyclopentyl)-2-ylamino]-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: 1.661
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 11.13
Polar Surface Area: 107 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 268.5±5.0 cm3

Click to predict properties on the Chemicalize site


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