ChemSpider 2D Image | 5-[(2S)-2-{[(1H-Indol-3-ylacetyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid | C25H28N2O5

5-[(2S)-2-{[(1H-Indol-3-ylacetyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC25H28N2O5
  • Average mass436.500 Da
  • Monoisotopic mass436.199829 Da
  • ChemSpider ID35034534

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[(2S)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-4-methylpentyl]- [ACD/Index Name]
5-[(2s)-2-[[2-(1h-Indol-3-Yl)ethanoylamino]methyl]-4-Methyl-Pentyl]-1,3-Benzodioxole-4-Carboxylic Acid
5-[(2S)-2-{[(1H-Indol-3-ylacetyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(2S)-2-{[(1H-Indol-3-ylacetyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(2S)-2-({[2-(1H-indol-3-yl)acétyl]amino}méthyl)-4-méthylpentyl]-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
VXO

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.1±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 22.07
ACD/KOC (pH 5.5): 111.95
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.55
Polar Surface Area: 101 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 341.3±3.0 cm3

Click to predict properties on the Chemicalize site


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