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Search term: NAQYQAFYLLAUJD-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 4-[(5-{2-[(3-Methoxybenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]benzoic acid | C24H22N6O4

4-[(5-{2-[(3-Methoxybenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]benzoic acid

  • Molecular FormulaC24H22N6O4
  • Average mass458.469 Da
  • Monoisotopic mass458.170258 Da
  • ChemSpider ID24653851

More details:

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

4-[(5-{2-[(3-Methoxybenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(5-{2-[(3-Methoxybenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(5-{2-[(3-méthoxybenzyl)carbamoyl]-6-méthyl-4-pyridinyl}-2H-tétrazol-2-yl)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[5-[2-[[[(3-methoxyphenyl)methyl]amino]carbonyl]-6-methyl-4-pyridinyl]-2H-tetrazol-2-yl]methyl]- [ACD/Index Name]
4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 5.69
ACD/KOC (pH 5.5): 47.73
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 132 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 335.4±7.0 cm3

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