ChemSpider 2D Image | 2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-N-(1,3-benzothiazol-2-ylmethyl)acetamide | C29H27N5O5S

2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-N-(1,3-benzothiazol-2-ylmethyl)acetamide

  • Molecular FormulaC29H27N5O5S
  • Average mass557.620 Da
  • Monoisotopic mass557.173279 Da
  • ChemSpider ID22128346

More details:

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

2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-N-(1,3-benzothiazol-2-ylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-N-(1,3-benzothiazol-2-ylmethyl)acetamide [ACD/IUPAC Name]
2-[4-(1,3-Benzodioxol-5-yl)-2-({méthyl[(4-méthyl-1,2,5-oxadiazol-3-yl)méthyl]amino}méthyl)phénoxy]-N-(1,3-benzothiazol-2-ylméthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-(1,3-benzodioxol-5-yl)-2-[[methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]-N-(2-benzothiazolylmethyl)- [ACD/Index 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: 1.660
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 155.43
ACD/KOC (pH 5.5): 1007.68
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 363.49
ACD/KOC (pH 7.4): 2356.54
Polar Surface Area: 140 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 409.2±3.0 cm3

Click to predict properties on the Chemicalize site


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