ChemSpider 2D Image | N-(2-Chlorobenzyl)-N-[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-2-[5-(5-methyl-2-furyl)-2H-tetrazol-2-yl]acetamide | C27H29ClN6O3S

N-(2-Chlorobenzyl)-N-[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-2-[5-(5-methyl-2-furyl)-2H-tetrazol-2-yl]acetamide

  • Molecular FormulaC27H29ClN6O3S
  • Average mass553.076 Da
  • Monoisotopic mass552.171021 Da
  • ChemSpider ID2426219

More details:

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

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

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

ASN 03653598 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 982.40
ACD/KOC (pH 5.5): 4824.79
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 982.40
ACD/KOC (pH 7.4): 4824.81
Polar Surface Area: 134 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 388.4±7.0 cm3

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