ChemSpider 2D Image | N-(3-Isopropyl-1,2-oxazol-5-yl)-2-({5-[(2-oxo-1-azepanyl)methyl]-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C22H27N7O3S

N-(3-Isopropyl-1,2-oxazol-5-yl)-2-({5-[(2-oxo-1-azepanyl)methyl]-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC22H27N7O3S
  • Average mass469.560 Da
  • Monoisotopic mass469.189606 Da
  • ChemSpider ID22287226

More details:

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

Acetamide, 2-[[5-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[3-(1-methylethyl)-5-isoxazolyl]- [ACD/Index Name]
N-(3-Isopropyl-1,2-oxazol-5-yl)-2-({5-[(2-oxo-1-azepanyl)methyl]-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-(3-Isopropyl-1,2-oxazol-5-yl)-2-({5-[(2-oxo-1-azepanyl)methyl]-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(3-Isopropyl-1,2-oxazol-5-yl)-2-({5-[(2-oxo-1-azépanyl)méthyl]-4-(3-pyridinyl)-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: 1.696
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.84
ACD/KOC (pH 5.5): 262.67
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.85
ACD/KOC (pH 7.4): 262.75
Polar Surface Area: 144 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 331.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement