Found 12 results

Search term: MF = 'C_{21}H_{19}IN_{4}O_{4}S'
ChemSpider 2D Image | N-{2-[4-(1,3-Benzodioxol-5-yl)-5-{[2-(4-iodophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}acetamide | C21H19IN4O4S

N-{2-[4-(1,3-Benzodioxol-5-yl)-5-{[2-(4-iodophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}acetamide

  • Molecular FormulaC21H19IN4O4S
  • Average mass550.369 Da
  • Monoisotopic mass550.017151 Da
  • ChemSpider ID3487862

More details:

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

Acetamide, N-[2-[4-(1,3-benzodioxol-5-yl)-5-[[2-(4-iodophenyl)-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]ethyl]- [ACD/Index Name]
N-{2-[4-(1,3-Benzodioxol-5-yl)-5-{[2-(4-iodophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}acetamide [ACD/IUPAC Name]
N-{2-[4-(1,3-Benzodioxol-5-yl)-5-{[2-(4-iodophényl)-2-oxoéthyl]sulfanyl}-4H-1,2,4-triazol-3-yl]éthyl}acétamide [French] [ACD/IUPAC Name]
N-{2-[4-(1,3-Benzodioxol-5-yl)-5-{[2-(4-iodphenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}acetamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.20
ACD/KOC (pH 5.5): 1245.93
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.20
ACD/KOC (pH 7.4): 1245.98
Polar Surface Area: 121 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 320.1±7.0 cm3

Click to predict properties on the Chemicalize site


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