ChemSpider 2D Image | N-[2-(3,4-Diethoxyphenyl)ethyl]-4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide | C27H35N5O4S

N-[2-(3,4-Diethoxyphenyl)ethyl]-4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

  • Molecular FormulaC27H35N5O4S
  • Average mass525.663 Da
  • Monoisotopic mass525.240967 Da
  • ChemSpider ID20233497

More details:

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

N-[2-(3,4-Diethoxyphenyl)ethyl]-4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Diethoxyphenyl)ethyl]-4-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide [ACD/IUPAC Name]
N-[2-(3,4-Diéthoxyphényl)éthyl]-4-(4-isobutyl-5-oxo-4,5-dihydrothiéno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide [French] [ACD/IUPAC Name]
Thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1-butanamide, N-[2-(3,4-diethoxyphenyl)ethyl]-4,5-dihydro-4-(2-methylpropyl)-5-oxo- [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: 1.634
Molar Refractivity: 145.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 463.20
ACD/KOC (pH 5.5): 2815.63
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 463.89
ACD/KOC (pH 7.4): 2819.83
Polar Surface Area: 127 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 406.9±7.0 cm3

Click to predict properties on the Chemicalize site


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