Found 830 results

Search term: MF = 'C_{21}H_{31}N_{5}O_{3}S'
ChemSpider 2D Image | 2-({4-Butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide | C21H31N5O3S

2-({4-Butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

  • Molecular FormulaC21H31N5O3S
  • Average mass433.568 Da
  • Monoisotopic mass433.214752 Da
  • ChemSpider ID26402632

More details:

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

2-({4-Butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamid [German] [ACD/IUPAC Name]
2-({4-Butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide [ACD/IUPAC Name]
2-({4-Butyl-5-[1-(diméthylamino)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-butyl-5-[1-(dimethylamino)propyl]-4H-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)- [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: 1.616
Molar Refractivity: 119.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 5.95
ACD/KOC (pH 5.5): 47.60
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 129.02
ACD/KOC (pH 7.4): 1031.81
Polar Surface Area: 107 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 341.9±7.0 cm3

Click to predict properties on the Chemicalize site


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