ChemSpider 2D Image | 2-[4-({3-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}methyl)-1-piperazinyl]acetamide | C23H29ClN6O2S

2-[4-({3-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}methyl)-1-piperazinyl]acetamide

  • Molecular FormulaC23H29ClN6O2S
  • Average mass489.033 Da
  • Monoisotopic mass488.176117 Da
  • ChemSpider ID28499663

More details:

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

1-Piperazineacetamide, 4-[[3-[7-chloro-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl]methyl]- [ACD/Index Name]
2-[4-({3-[7-Chlor-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}methyl)-1-piperazinyl]acetamid [German] [ACD/IUPAC Name]
2-[4-({3-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}methyl)-1-piperazinyl]acetamide [ACD/IUPAC Name]
2-[4-({3-[7-Chloro-1-(tétrahydro-2H-pyran-4-ylméthyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}méthyl)-1-pipérazinyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 732.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 397.0±35.7 °C
Index of Refraction: 1.731
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 27.55
ACD/KOC (pH 5.5): 352.63
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.69
ACD/KOC (pH 7.4): 431.21
Polar Surface Area: 118 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 326.1±7.0 cm3

Click to predict properties on the Chemicalize site


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