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Search term: ICFNCUVQGPNFBW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid | C30H27N3O5

1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

  • Molecular FormulaC30H27N3O5
  • Average mass509.552 Da
  • Monoisotopic mass509.195068 Da
  • ChemSpider ID117162

More details:

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

1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-6-carbonsäure [German] [ACD/IUPAC Name]
1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid [ACD/IUPAC Name]
1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro- [ACD/Index Name]
Acide 1-(2,3-dihydro-1,4-benzodioxin-2-ylméthyl)-5-(2,2-diphénylacétyl)-4,5,6,7-tétrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylique [French] [ACD/IUPAC Name]
1-(1,4-Benzodioxan-2-methyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
1-(1,4-BENZODIOXAN-2-METHYL)-5-DIPHENYLACETYL-4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
145543-03-9 [RN]
1H-Imidazo(4,5-c)pyridine-6-carboxylic acid, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-

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

RG 13647 [DBID]
RG-13647 [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: 801.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.4±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 8.91
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 374.9±7.0 cm3

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