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ChemSpider 2D Image | N-(6-{2-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]ethyl}-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide | C30H32N4OS

N-(6-{2-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]ethyl}-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide

  • Molecular FormulaC30H32N4OS
  • Average mass496.666 Da
  • Monoisotopic mass496.229675 Da
  • ChemSpider ID23313115

More details:

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

Benzeneacetamide, N-[6-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-inden-1-yl]- [ACD/Index Name]
N-(6-{2-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]ethyl}-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamid [German] [ACD/IUPAC Name]
N-(6-{2-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]ethyl}-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide [ACD/IUPAC Name]
N-(6-{2-[4-(1,2-Benzothiazol-3-yl)-1-pipérazinyl]éthyl}-2,3-dihydro-1H-indén-1-yl)-2-phénylacétamide [French] [ACD/IUPAC Name]
N-(6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CHEMBL253878
N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.7±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 3.99
ACD/KOC (pH 5.5): 10.94
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1101.77
ACD/KOC (pH 7.4): 3019.97
Polar Surface Area: 77 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 383.6±5.0 cm3

Click to predict properties on the Chemicalize site


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