ChemSpider 2D Image | 1-[4-({5-[3-(1-Azepanyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}methyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-yl)-1-butanone | C27H36N6O3S

1-[4-({5-[3-(1-Azepanyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}methyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-yl)-1-butanone

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID20372144

More details:

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

1-[4-({5-[3-(1-Azepanyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}methyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-yl)-1-butanon [German] [ACD/IUPAC Name]
1-[4-({5-[3-(1-Azepanyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}methyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-yl)-1-butanone [ACD/IUPAC Name]
1-[4-({5-[3-(1-Azépanyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}méthyl)-1-pipérazinyl]-4-(1,3-benzothiazol-2-yl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 4-(2-benzothiazolyl)-1-[4-[[5-[3-(hexahydro-1H-azepin-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]methyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.5±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.88
ACD/KOC (pH 5.5): 1005.31
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.04
ACD/KOC (pH 7.4): 1006.82
Polar Surface Area: 124 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 412.2±3.0 cm3

Click to predict properties on the Chemicalize site


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