ChemSpider 2D Image | 3-[1-{[2-(sec-Butylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-isobutylpropanamide | C22H30N6O3S

3-[1-{[2-(sec-Butylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-isobutylpropanamide

  • Molecular FormulaC22H30N6O3S
  • Average mass458.577 Da
  • Monoisotopic mass458.210022 Da
  • ChemSpider ID26314142

More details:

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

[1,2,4]Triazolo[4,3-a]quinazoline-4(5H)-propanamide, N-(2-methylpropyl)-1-[[2-[(1-methylpropyl)amino]-2-oxoethyl]thio]-5-oxo- [ACD/Index Name]
3-[1-{[2-(sec-Butylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]chinazolin-4(5H)-yl]-N-isobutylpropanamid [German] [ACD/IUPAC Name]
3-[1-{[2-(sec-Butylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-isobutylpropanamide [ACD/IUPAC Name]
3-[1-{[2-(sec-Butylamino)-2-oxoéthyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-isobutylpropanamide [French] [ACD/IUPAC Name]
1112308-94-7 [RN]
3-(1-((2-(sec-butylamino)-2-oxoethyl)thio)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-isobutylpropanamide
3-[1-({[(butan-2-yl)carbamoyl]methyl}sulfanyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(2-methylpropyl)propanamide
3-[1-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(2-methylpropyl)propanamide
3-[1-{[2-(sec-butylamino)-2-oxoethyl]thio}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-isobutylpropanamide

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: 1.653
Molar Refractivity: 126.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.38
ACD/KOC (pH 5.5): 464.81
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.38
ACD/KOC (pH 7.4): 464.82
Polar Surface Area: 135 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 344.2±7.0 cm3

Click to predict properties on the Chemicalize site


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