ChemSpider 2D Image | 2-{4-[2-(4-Morpholinyl)ethyl]-1-piperazinyl}ethyl 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetoxy]benzoate | C31H40N4O6

2-{4-[2-(4-Morpholinyl)ethyl]-1-piperazinyl}ethyl 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetoxy]benzoate

  • Molecular FormulaC31H40N4O6
  • Average mass564.672 Da
  • Monoisotopic mass564.294800 Da
  • ChemSpider ID118996

More details:

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

1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, 4-((2-(4-(2-(4-morpholinyl)ethyl)-1-piperazinyl)ethoxy)carbonyl)phenyl ester
1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, 4-[[2-[4-[2-(4-morpholinyl)ethyl]-1-piperazinyl]ethoxy]carbonyl]phenyl ester [ACD/Index Name]
2-{4-[2-(4-Morpholinyl)ethyl]-1-piperazinyl}ethyl 4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetoxy]benzoate [ACD/IUPAC Name]
2-{4-[2-(4-Morpholinyl)ethyl]-1-piperazinyl}ethyl-4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetoxy]benzoat [German] [ACD/IUPAC Name]
4-[2-(5-Méthoxy-2-méthyl-1H-indol-3-yl)acétoxy]benzoate de 2-{4-[2-(4-morpholinyl)éthyl]-1-pipérazinyl}éthyle [French] [ACD/IUPAC Name]
2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethyl 4-[2-(5-methoxy-2-methyl-1h-indol-3-yl)acetyl]oxybenzoate
2-{4-[2-(MORPHOLIN-4-YL)ETHYL]PIPERAZIN-1-YL}ETHYL 4-{[2-(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]OXY}BENZOATE
85476-59-1 [RN]
91903-26-3 [RN]
CID 135041

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

FK 401 [DBID]
FK-401 [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: 730.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 68.92
ACD/KOC (pH 7.4): 546.71
Polar Surface Area: 97 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 461.6±3.0 cm3

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