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

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

  • Molecular FormulaC31H36ClN3O5S
  • Average mass598.153 Da
  • Monoisotopic mass597.206421 Da
  • ChemSpider ID167726

More details:

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

2-{4-[3-(3-Chlor-10H-phenothiazin-10-yl)propyl]-1-piperazinyl}ethyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
2-{4-[3-(3-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl}ethyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de 2-{4-[3-(3-chloro-10H-phénothiazin-10-yl)propyl]-1-pipérazinyl}éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(3-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester [ACD/Index Name]
2-{4-[3-(3-CHLORO-10H-PHENOTHIAZIN-10-YL)PROPYL]PIPERAZIN-1-YL}ETHYL 3,4,5-TRIMETHOXYBENZOATE
2-{4-[3-(3-CHLOROPHENOTHIAZIN-10-YL)PROPYL]PIPERAZIN-1-YL}ETHYL 3,4,5-TRIMETHOXYBENZOATE
3,4,5-Trimethoxybenzoic acid, 2-(4-(3-(3-chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester
38455-99-1 [RN]
3-Chloro-6-(4'-hydroxyethylpiperazinyl)-1,1-propylphenothiazine 3'',4'',45''-trimethoxybenzoic acid
4875-39-2 [RN]
More...

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

T 82 [DBID]
T-82 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.0±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 164.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 517.28
ACD/KOC (pH 5.5): 932.13
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 18157.46
ACD/KOC (pH 7.4): 32719.04
Polar Surface Area: 89 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 479.1±3.0 cm3

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