ChemSpider 2D Image | 2-{[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]methyl}-4,5,6,7-tetrahydro-1,3-benzothiazole | C16H26N4O2S2

2-{[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]methyl}-4,5,6,7-tetrahydro-1,3-benzothiazole

  • Molecular FormulaC16H26N4O2S2
  • Average mass370.533 Da
  • Monoisotopic mass370.149719 Da
  • ChemSpider ID32064036

More details:

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

2-{[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]methyl}-4,5,6,7-tetrahydro-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-{[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]methyl}-4,5,6,7-tetrahydro-1,3-benzothiazole [ACD/IUPAC Name]
2-{[4-(1-Pyrrolidinylsulfonyl)-1-pipérazinyl]méthyl}-4,5,6,7-tétrahydro-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 4,5,6,7-tetrahydro-2-[[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]methyl]- [ACD/Index Name]
2-{[4-(pyrrolidin-1-ylsulfonyl)piperazin-1-yl]methyl}-4,5,6,7-tetrahydro-1,3-benzothiazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.15
ACD/KOC (pH 5.5): 176.62
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.45
ACD/KOC (pH 7.4): 199.26
Polar Surface Area: 93 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 267.4±5.0 cm3

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