Found 666 results

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

1-(4-Fluorobenzyl)-3-{[(4-isopropoxybenzyl)amino]methyl}-6-methyl-1H-indole-2-carboxylic acid

  • Molecular FormulaC28H29FN2O3
  • Average mass460.540 Da
  • Monoisotopic mass460.216217 Da
  • ChemSpider ID29007120

More details:

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

1-(4-Fluorbenzyl)-3-{[(4-isopropoxybenzyl)amino]methyl}-6-methyl-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-3-{[(4-isopropoxybenzyl)amino]methyl}-6-methyl-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]-6-methyl-3-[[[[4-(1-methylethoxy)phenyl]methyl]amino]methyl]- [ACD/Index Name]
Acide 1-(4-fluorobenzyl)-3-{[(4-isopropoxybenzyl)amino]méthyl}-6-méthyl-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
1-[(4-FLUOROPHENYL)METHYL]-3-({[(4-ISOPROPOXYPHENYL)METHYL]AMINO}METHYL)-6-METHYLINDOLE-2-CARBOXYLIC ACID
1-[(4-FLUOROPHENYL)METHYL]-6-METHYL-3-[({[4-(PROPAN-2-YLOXY)PHENYL]METHYL}AMINO)METHYL]-1H-INDOLE-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: 650.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 346.9±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 148.68
ACD/KOC (pH 5.5): 241.48
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 152.63
ACD/KOC (pH 7.4): 247.90
Polar Surface Area: 63 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 385.7±7.0 cm3

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