ChemSpider 2D Image | 4-{[4-(1,3-Benzothiazol-2-yl)-1-piperazinyl](1-benzyl-1H-tetrazol-5-yl)methyl}-2-methoxyphenol | C27H27N7O2S

4-{[4-(1,3-Benzothiazol-2-yl)-1-piperazinyl](1-benzyl-1H-tetrazol-5-yl)methyl}-2-methoxyphenol

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID2452919

More details:

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

4-{[4-(1,3-Benzothiazol-2-yl)-1-piperazinyl](1-benzyl-1H-tetrazol-5-yl)methyl}-2-methoxyphenol [ACD/IUPAC Name]
4-{[4-(1,3-Benzothiazol-2-yl)-1-piperazinyl](1-benzyl-1H-tetrazol-5-yl)methyl}-2-methoxyphenol [German] [ACD/IUPAC Name]
4-{[4-(1,3-Benzothiazol-2-yl)-1-pipérazinyl](1-benzyl-1H-tétrazol-5-yl)méthyl}-2-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 4-[[4-(2-benzothiazolyl)-1-piperazinyl][1-(phenylmethyl)-1H-tetrazol-5-yl]methyl]-2-methoxy- [ACD/Index Name]

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

ASN 05346588 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 406.3±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 220.52
ACD/KOC (pH 5.5): 1559.64
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.01
ACD/KOC (pH 7.4): 1909.65
Polar Surface Area: 121 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 364.2±7.0 cm3

Click to predict properties on the Chemicalize site


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