Found 1 result

Search term: SMHSNYHGGYVOMD-SAABIXHNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | trans-4-[(5-{2-[(3-Methoxybenzyl)carbamoyl]-6-methyl-4-pyridinyl}-2H-tetrazol-2-yl)methyl]cyclohexanecarboxylic acid | C24H28N6O4

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

  • Molecular FormulaC24H28N6O4
  • Average mass464.517 Da
  • Monoisotopic mass464.217194 Da
  • ChemSpider ID24648006

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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: 1.673
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: 2.91
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 7.33
ACD/KOC (pH 5.5): 84.45
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
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

Click to predict properties on the Chemicalize site


Advertisement