ChemSpider 2D Image | 2-{4-[1-(2-Chloro-10H-phenothiazin-10-yl)-2-propanyl]-1-piperazinyl}ethyl 3,4,5-trimethoxybenzoate | C31H36ClN3O5S

2-{4-[1-(2-Chloro-10H-phenothiazin-10-yl)-2-propanyl]-1-piperazinyl}ethyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC31H36ClN3O5S
  • Average mass598.153 Da
  • Monoisotopic mass597.206421 Da
  • ChemSpider ID172184

More details:

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

2-{4-[1-(2-Chlor-10H-phenothiazin-10-yl)-2-propanyl]-1-piperazinyl}ethyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
2-{4-[1-(2-Chloro-10H-phenothiazin-10-yl)-2-propanyl]-1-piperazinyl}ethyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de 2-{4-[1-(2-chloro-10H-phénothiazin-10-yl)-2-propanyl]-1-pipérazinyl}éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[2-(2-chloro-10H-phenothiazin-10-yl)-1-methylethyl]-1-piperazinyl]ethyl ester [ACD/Index Name]
1-Piperazineethanol, 4-(1-(2-chloro-10-phenothiazinyl)-2-propyl)-, 3,4,5-trimethoxybenzoate
3534-36-9 [RN]

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

T-82 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.4±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 930.60
ACD/KOC (pH 5.5): 1727.42
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 21453.90
ACD/KOC (pH 7.4): 39823.78
Polar Surface Area: 89 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 477.1±3.0 cm3

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