Found 666 results

Search term: MF = 'C_{28}H_{29}FN_{2}O_{3}'
ChemSpider 2D Image | 3-({[2-(4-Ethoxyphenyl)ethyl]amino}methyl)-1-(4-fluorobenzyl)-6-methyl-1H-indole-2-carboxylic acid | C28H29FN2O3

3-({[2-(4-Ethoxyphenyl)ethyl]amino}methyl)-1-(4-fluorobenzyl)-6-methyl-1H-indole-2-carboxylic acid

  • Molecular FormulaC28H29FN2O3
  • Average mass460.540 Da
  • Monoisotopic mass460.216217 Da
  • ChemSpider ID29007116

More details:

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

1H-Indole-2-carboxylic acid, 3-[[[2-(4-ethoxyphenyl)ethyl]amino]methyl]-1-[(4-fluorophenyl)methyl]-6-methyl- [ACD/Index Name]
3-({[2-(4-Ethoxyphenyl)ethyl]amino}methyl)-1-(4-fluorbenzyl)-6-methyl-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
3-({[2-(4-Ethoxyphenyl)ethyl]amino}methyl)-1-(4-fluorobenzyl)-6-methyl-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-({[2-(4-éthoxyphényl)éthyl]amino}méthyl)-1-(4-fluorobenzyl)-6-méthyl-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
3-({[2-(4-ETHOXYPHENYL)ETHYL]AMINO}METHYL)-1-[(4-FLUOROPHENYL)METHYL]-6-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
3-({[2-(4-ETHOXYPHENYL)ETHYL]AMINO}METHYL)-1-[(4-FLUOROPHENYL)METHYL]-6-METHYLINDOLE-2-CARBOXYLIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 88.00
ACD/KOC (pH 5.5): 165.76
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 90.55
ACD/KOC (pH 7.4): 170.56
Polar Surface Area: 63 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 386.5±7.0 cm3

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