ChemSpider 2D Image | N-(6-Methoxy-1,3-benzothiazol-2-yl)-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C21H21N5O4S2

N-(6-Methoxy-1,3-benzothiazol-2-yl)-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC21H21N5O4S2
  • Average mass471.552 Da
  • Monoisotopic mass471.103485 Da
  • ChemSpider ID24583071

More details:

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

Acetamide, N-(6-methoxy-2-benzothiazolyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(6-Methoxy-1,3-benzothiazol-2-yl)-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-(6-Methoxy-1,3-benzothiazol-2-yl)-2-({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(6-Méthoxy-1,3-benzothiazol-2-yl)-2-({5-[(4-méthoxyphénoxy)méthyl]-4-méthyl-4H-1,2,4-triazol-3-yl}sulfanyl)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: 1.687
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 306.99
ACD/KOC (pH 5.5): 2097.82
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 289.85
ACD/KOC (pH 7.4): 1980.71
Polar Surface Area: 154 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 329.1±7.0 cm3

Click to predict properties on the Chemicalize site


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