ChemSpider 2D Image | 5-[[(1s,2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydro-1h-Inden-1-Yl]methyl]-1,3-Benzodioxole-4-Carboxylic Acid | C24H28N2O5

5-[[(1s,2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydro-1h-Inden-1-Yl]methyl]-1,3-Benzodioxole-4-Carboxylic Acid

  • Molecular FormulaC24H28N2O5
  • Average mass424.490 Da
  • Monoisotopic mass424.199829 Da
  • ChemSpider ID35034153

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[[(1S,2S)-2-[(6-amino-1-oxohexyl)amino]-2,3-dihydro-1H-inden-1-yl]methyl]- [ACD/Index Name]
5-({(1S,2S)-2-[(6-Aminohexanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-({(1S,2S)-2-[(6-Aminohexanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
5-[[(1s,2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydro-1h-Inden-1-Yl]methyl]-1,3-Benzodioxole-4-Carboxylic Acid
Acide 5-({(1S,2S)-2-[(6-aminohexanoyl)amino]-2,3-dihydro-1H-indén-1-yl}méthyl)-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
NZL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 7.21
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 7.33
Polar Surface Area: 111 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 322.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement