Found 1 result

Search term: VKCKAMBPNXKGHL-QFIPXVFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Hydroxy-7-[(1R)-1-hydroxy-2-{[2-(3-{[(2-methoxybenzyl)amino]methyl}phenyl)ethyl]amino}ethyl]-1,3-benzothiazol-2(3H)-one | C26H29N3O4S

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

  • Molecular FormulaC26H29N3O4S
  • Average mass479.591 Da
  • Monoisotopic mass479.187866 Da
  • ChemSpider ID28479306

  • 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-[[2-[3-[[[(2-methoxyphenyl)methyl]amino]methyl]phenyl]ethyl]amino]ethyl]- [ACD/Index Name]
4-Hydroxy-7-[(1R)-1-hydroxy-2-{[2-(3-{[(2-methoxybenzyl)amino]methyl}phenyl)ethyl]amino}ethyl]-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
4-Hydroxy-7-[(1R)-1-hydroxy-2-{[2-(3-{[(2-methoxybenzyl)amino]methyl}phenyl)ethyl]amino}ethyl]-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
4-Hydroxy-7-[(1R)-1-hydroxy-2-{[2-(3-{[(2-méthoxybenzyl)amino]méthyl}phényl)éthyl]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: 1.656
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.48
Polar Surface Area: 128 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 368.9±3.0 cm3

Click to predict properties on the Chemicalize site


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