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Search term: UORFXDKDNXZABJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-[3-(tert-butylamino)-2-hydroxypropoxy]-4-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2H-1,4-benzothiazin-3(4H)-one | C29H42N4O4S

8-[3-(tert-butylamino)-2-hydroxypropoxy]-4-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2H-1,4-benzothiazin-3(4H)-one

  • Molecular FormulaC29H42N4O4S
  • Average mass542.733 Da
  • Monoisotopic mass542.292664 Da
  • ChemSpider ID8160419

More details:

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

2H-1,4-Benzothiazin-3(4H)-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-4-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]- [ACD/Index Name]
8-[3-(tert-butylamino)-2-hydroxypropoxy]-4-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2H-1,4-benzothiazin-3(4H)-one
8-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-4-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}-2H-1,4-benzothiazin-3(4H)-on [German] [ACD/IUPAC Name]
8-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-4-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}-2H-1,4-benzothiazin-3(4H)-one [ACD/IUPAC Name]
8-{2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}-4-{3-[4-(2-méthoxyphényl)-1-pipérazinyl]propyl}-2H-1,4-benzothiazin-3(4H)-one [French] [ACD/IUPAC Name]
8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-4H-benzo[1,4]thiazin-3-one
CHEMBL143463

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.1±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 11.43
Polar Surface Area: 103 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 460.0±3.0 cm3

Click to predict properties on the Chemicalize site


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