ChemSpider 2D Image | N-Isobutyl-3-[1-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide | C22H30N6O4S

N-Isobutyl-3-[1-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide

  • Molecular FormulaC22H30N6O4S
  • Average mass474.576 Da
  • Monoisotopic mass474.204926 Da
  • ChemSpider ID28392443

More details:






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

[1,2,4]Triazolo[4,3-a]quinazoline-4(5H)-propanamide, 1-[[2-[(3-methoxypropyl)amino]-2-oxoethyl]thio]-N-(2-methylpropyl)-5-oxo- [ACD/Index Name]
N-Isobutyl-3-[1-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]chinazolin-4(5H)-yl]propanamid [German] [ACD/IUPAC Name]
N-Isobutyl-3-[1-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide [ACD/IUPAC Name]
N-Isobutyl-3-[1-({2-[(3-méthoxypropyl)amino]-2-oxoéthyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 127.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.43
ACD/KOC (pH 5.5): 223.39
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.43
ACD/KOC (pH 7.4): 223.40
Polar Surface Area: 144 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 351.5±7.0 cm3

Click to predict properties on the Chemicalize site






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