ChemSpider 2D Image | [3-(4-Morpholinylsulfonyl)phenyl][4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1-piperazinyl]methanone | C23H32N6O4S

[3-(4-Morpholinylsulfonyl)phenyl][4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1-piperazinyl]methanone

  • Molecular FormulaC23H32N6O4S
  • Average mass488.603 Da
  • Monoisotopic mass488.220581 Da
  • ChemSpider ID22332909

More details:

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

[3-(4-Morpholinylsulfonyl)phenyl][4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[3-(4-Morpholinylsulfonyl)phenyl][4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[3-(4-Morpholinylsulfonyl)phényl][4-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-ylméthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(4-morpholinylsulfonyl)phenyl][4-[(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)methyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 743.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.7±35.7 °C
Index of Refraction: 1.698
Molar Refractivity: 129.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 46.88
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 51.28
Polar Surface Area: 109 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 336.5±7.0 cm3

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