ChemSpider 2D Image | 6-Hydroxy-3-{(4R)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid | C25H24N4O5

6-Hydroxy-3-{(4R)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid

  • Molecular FormulaC25H24N4O5
  • Average mass460.482 Da
  • Monoisotopic mass460.174683 Da
  • ChemSpider ID25056716

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Benzofurancarboxylic acid, 6-hydroxy-3-[(4R)-1-[4-(1-naphthalenylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl]- [ACD/Index Name]
6-Hydroxy-3-{(4R)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carbonsäure [German] [ACD/IUPAC Name]
6-Hydroxy-3-{(4R)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid [ACD/IUPAC Name]
Acide 6-hydroxy-3-{(4R)-1-[4-(1-naphtylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofurane-5-carboxylique [French] [ACD/IUPAC Name]

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

561 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 7.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.18
Polar Surface Area: 127 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 329.6±3.0 cm3

Click to predict properties on the Chemicalize site


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