ChemSpider 2D Image | 2-[5-(4-Chlorophenyl)-2H-tetrazol-2-yl]-N-(3-methoxybenzyl)-N-{2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(2-thienyl)ethyl}acetamide | C27H29ClN6O3S

2-[5-(4-Chlorophenyl)-2H-tetrazol-2-yl]-N-(3-methoxybenzyl)-N-{2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(2-thienyl)ethyl}acetamide

  • Molecular FormulaC27H29ClN6O3S
  • Average mass553.076 Da
  • Monoisotopic mass552.171021 Da
  • ChemSpider ID2441244

More details:

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

2-[5-(4-Chlorophenyl)-2H-tetrazol-2-yl]-N-(3-methoxybenzyl)-N-{2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(2-thienyl)ethyl}acetamide [ACD/IUPAC Name]
2-[5-(4-Chlorophényl)-2H-tétrazol-2-yl]-N-(3-méthoxybenzyl)-N-{2-[(2-méthyl-2-propanyl)amino]-2-oxo-1-(2-thiényl)éthyl}acétamide [French] [ACD/IUPAC Name]
2-[5-(4-Chlorphenyl)-2H-tetrazol-2-yl]-N-(3-methoxybenzyl)-N-{2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(2-thienyl)ethyl}acetamid [German] [ACD/IUPAC Name]
2H-Tetrazole-2-acetamide, 5-(4-chlorophenyl)-N-[2-[(1,1-dimethylethyl)amino]-2-oxo-1-(2-thienyl)ethyl]-N-[(3-methoxyphenyl)methyl]- [ACD/Index Name]

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

ASN 04486004 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 152.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1431.57
ACD/KOC (pH 5.5): 6317.27
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1431.58
ACD/KOC (pH 7.4): 6317.29
Polar Surface Area: 130 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 419.7±7.0 cm3

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