ChemSpider 2D Image | 3-(4-Isobutyl-5-{[2-({[1-(4-morpholinyl)cyclohexyl]methyl}amino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propanamide | C22H38N6O3S

3-(4-Isobutyl-5-{[2-({[1-(4-morpholinyl)cyclohexyl]methyl}amino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propanamide

  • Molecular FormulaC22H38N6O3S
  • Average mass466.641 Da
  • Monoisotopic mass466.272614 Da
  • ChemSpider ID22056322

More details:

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

3-(4-Isobutyl-5-{[2-({[1-(4-morpholinyl)cyclohexyl]methyl}amino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propanamid [German] [ACD/IUPAC Name]
3-(4-Isobutyl-5-{[2-({[1-(4-morpholinyl)cyclohexyl]methyl}amino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propanamide [ACD/IUPAC Name]
3-(4-Isobutyl-5-{[2-({[1-(4-morpholinyl)cyclohexyl]méthyl}amino)-2-oxoéthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)propanamide [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-propanamide, 4-(2-methylpropyl)-5-[[2-[[[1-(4-morpholinyl)cyclohexyl]methyl]amino]-2-oxoethyl]thio]- [ACD/Index Name]

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: 1.636
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 30.38
Polar Surface Area: 141 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 352.6±7.0 cm3

Click to predict properties on the Chemicalize site


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