ChemSpider 2D Image | Indometacin farnesil | C34H40ClNO4

Indometacin farnesil

  • Molecular FormulaC34H40ClNO4
  • Average mass562.139 Da
  • Monoisotopic mass561.264587 Da
  • ChemSpider ID4445378
  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate [ACD/IUPAC Name]
(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl-[1-(4-chlorbenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetat [German] [ACD/IUPAC Name]
[1-(4-Chlorobenzoyl)-5-méthoxy-2-méthyl-1H-indol-3-yl]acétate de (2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yle [French] [ACD/IUPAC Name]
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 3,7,11-trimethyl-2,6,10-dodecatrienyl ester
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester [ACD/Index Name]
3,7,11-Trimethyl-2,6,10-dodecatrienyl [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
85801-02-1 [RN]
Indometacin farnesil [JAN]
indomethacin farnesil
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate

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

D01565 [DBID]
E 0710 [DBID]
E-0710 [DBID]
PF03084014 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 626.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.7±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 163.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 8.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1651200.00
ACD/LogD (pH 7.4): 8.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1651200.00
Polar Surface Area: 58 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 36.7±7.0 dyne/cm
Molar Volume: 516.0±7.0 cm3

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