ChemSpider 2D Image | 1-[10-(3-{4-[2-Hydroxy(~2~H_4_)ethyl]-1-piperazinyl}propyl)-10H-phenothiazin-2-yl]-1-propanone | C24H27D4N3O2S

1-[10-(3-{4-[2-Hydroxy(2H4)ethyl]-1-piperazinyl}propyl)-10H-phenothiazin-2-yl]-1-propanone

  • Molecular FormulaC24H27D4N3O2S
  • Average mass429.612 Da
  • Monoisotopic mass429.238800 Da
  • ChemSpider ID78057742

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[10-(3-{4-[2-Hydroxy(2H4)ethyl]-1-piperazinyl}propyl)-10H-phenothiazin-2-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[10-(3-{4-[2-Hydroxy(2H4)ethyl]-1-piperazinyl}propyl)-10H-phenothiazin-2-yl]-1-propanone [ACD/IUPAC Name]
1-[10-(3-{4-[2-Hydroxy(2H4)éthyl]-1-pipérazinyl}propyl)-10H-phénothiazin-2-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[10-[3-[4-(2-hydroxyethyl-1,1,2,2-d4)-1-piperazinyl]propyl]-10H-phenothiazin-2-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 326.9±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 124.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 23.63
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 143.13
ACD/KOC (pH 7.4): 970.53
Polar Surface Area: 72 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 358.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement