Found 698 results

Search term: MF = 'C_{22}H_{33}N_{5}O_{2}S'
ChemSpider 2D Image | 2-({4-Amino-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1-azepanyl)-1-propanone | C22H33N5O2S

2-({4-Amino-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1-azepanyl)-1-propanone

  • Molecular FormulaC22H33N5O2S
  • Average mass431.595 Da
  • Monoisotopic mass431.235504 Da
  • ChemSpider ID22047324

More details:

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

1-Propanone, 2-[[4-amino-5-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-4H-1,2,4-triazol-3-yl]thio]-1-(hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
2-({4-Amino-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1-azepanyl)-1-propanon [German] [ACD/IUPAC Name]
2-({4-Amino-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1-azepanyl)-1-propanone [ACD/IUPAC Name]
2-({4-Amino-5-[(2-isopropyl-5-méthylphénoxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1-azépanyl)-1-propanone [French] [ACD/IUPAC 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: 659.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.7±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 459.29
ACD/KOC (pH 5.5): 2799.74
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 459.32
ACD/KOC (pH 7.4): 2799.91
Polar Surface Area: 112 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 343.6±7.0 cm3

Click to predict properties on the Chemicalize site


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