ChemSpider 2D Image | (6S)-5-(Diphenylacetyl)-1-(4-methoxy-3-methylbenzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid | C30H29N3O4

(6S)-5-(Diphenylacetyl)-1-(4-methoxy-3-methylbenzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

  • Molecular FormulaC30H29N3O4
  • Average mass495.569 Da
  • Monoisotopic mass495.215820 Da
  • ChemSpider ID23154824

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-5-(Diphenylacetyl)-1-(4-methoxy-3-methylbenzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-6-carbonsäure [German] [ACD/IUPAC Name]
(6S)-5-(Diphenylacetyl)-1-(4-methoxy-3-methylbenzyl)-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, 5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1-[(4-methoxy-3-methylphenyl)methyl]-, (6S)- [ACD/Index Name]
Acide (6S)-5-(2,2-diphénylacétyl)-1-(4-méthoxy-3-méthylbenzyl)-4,5,6,7-tétrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylique [French] [ACD/IUPAC Name]
(S)-5-Diphenylacetyl-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
5-Diphenylacetyl-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
5-diphenylcarbamoyl-1-(4-methoxy-2-methylbenzyl)-(6S)-4,5,6,7-tetrahydro-1H-imidazo[5,4-c]pyridine-6-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL294558/
PD-121981

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

Density: 1.3±0.1 g/cm3
Boiling Point: 769.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 419.1±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 8.03
ACD/KOC (pH 5.5): 30.56
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.46
Polar Surface Area: 85 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 395.2±7.0 cm3

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