ChemSpider 2D Image | 2-[4-(Cyclohexylmethyl)-1-piperazinyl]-8-(hydroxyamino)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one | C20H25F3N4O2S

2-[4-(Cyclohexylmethyl)-1-piperazinyl]-8-(hydroxyamino)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

  • Molecular FormulaC20H25F3N4O2S
  • Average mass442.498 Da
  • Monoisotopic mass442.165039 Da
  • ChemSpider ID35034750

More details:






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

2-[4-(Cyclohexylmethyl)-1-piperazinyl]-8-(hydroxyamino)-6-(trifluormethyl)-4H-1,3-benzothiazin-4-on [German] [ACD/IUPAC Name]
2-[4-(Cyclohexylmethyl)-1-piperazinyl]-8-(hydroxyamino)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one [ACD/IUPAC Name]
2-[4-(Cyclohexylméthyl)-1-pipérazinyl]-8-(hydroxyamino)-6-(trifluorométhyl)-4H-1,3-benzothiazin-4-one [French] [ACD/IUPAC Name]
4H-1,3-Benzothiazin-4-one, 2-[4-(cyclohexylmethyl)-1-piperazinyl]-8-(hydroxyamino)-6-(trifluoromethyl)- [ACD/Index Name]
bound form2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[E][1,3]thiazin-4-one
2-(4-(Cyclohexylmethyl)piperazin-1-Yl)-8-Nitro-6-(Trifluoromethyl)-4h-Benzo[e][1,3]thiazin-4-One, Bound Form
26J

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 562.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.2±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 17.51
ACD/KOC (pH 5.5): 146.60
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 67.52
ACD/KOC (pH 7.4): 565.21
Polar Surface Area: 93 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 294.4±7.0 cm3

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