Found 329 results

Search term: MF = 'C_{22}H_{27}N_{7}O_{2}S'
ChemSpider 2D Image | N,N-Bis(2-cyanoethyl)-2-{[4-(2-methoxyphenyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C22H27N7O2S

N,N-Bis(2-cyanoethyl)-2-{[4-(2-methoxyphenyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC22H27N7O2S
  • Average mass453.560 Da
  • Monoisotopic mass453.194702 Da
  • ChemSpider ID22295845

More details:

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

Acetamide, N,N-bis(2-cyanoethyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N,N-Bis(2-cyanethyl)-2-{[4-(2-methoxyphenyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N,N-Bis(2-cyanoethyl)-2-{[4-(2-methoxyphenyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N,N-Bis(2-cyanoéthyl)-2-{[4-(2-méthoxyphényl)-5-(1-pipéridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [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: 738.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.4±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.40
ACD/KOC (pH 5.5): 265.04
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.31
ACD/KOC (pH 7.4): 278.83
Polar Surface Area: 136 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 353.7±7.0 cm3

Click to predict properties on the Chemicalize site


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