ChemSpider 2D Image | N-(2-Chlorobenzyl)-N-[(1S)-2-(cyclohexylamino)-1-(5-methyl-2-furyl)-2-oxoethyl]-2-[5-(5-methyl-2-furyl)-2H-tetrazol-2-yl]acetamide | C28H31ClN6O4

N-(2-Chlorobenzyl)-N-[(1S)-2-(cyclohexylamino)-1-(5-methyl-2-furyl)-2-oxoethyl]-2-[5-(5-methyl-2-furyl)-2H-tetrazol-2-yl]acetamide

  • Molecular FormulaC28H31ClN6O4
  • Average mass551.036 Da
  • Monoisotopic mass550.209534 Da
  • ChemSpider ID62499740

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Tetrazole-2-acetamide, N-[(2-chlorophenyl)methyl]-N-[(1S)-2-(cyclohexylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-5-(5-methyl-2-furanyl)- [ACD/Index Name]
N-(2-Chlorbenzyl)-N-[(1S)-2-(cyclohexylamino)-1-(5-methyl-2-furyl)-2-oxoethyl]-2-[5-(5-methyl-2-furyl)-2H-tetrazol-2-yl]acetamid [German] [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-N-[(1S)-2-(cyclohexylamino)-1-(5-methyl-2-furyl)-2-oxoethyl]-2-[5-(5-methyl-2-furyl)-2H-tetrazol-2-yl]acetamide [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-N-[(1S)-2-(cyclohexylamino)-1-(5-méthyl-2-furyl)-2-oxoéthyl]-2-[5-(5-méthyl-2-furyl)-2H-tétrazol-2-yl]acétamide [French] [ACD/IUPAC Name]

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: 1.670
Molar Refractivity: 147.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 528.15
ACD/KOC (pH 5.5): 3094.21
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 528.15
ACD/KOC (pH 7.4): 3094.22
Polar Surface Area: 119 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 395.6±7.0 cm3

Click to predict properties on the Chemicalize site


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