Found 219 results

Search term: MF = 'C_{30}H_{38}N_{4}O_{2}S'
ChemSpider 2D Image | 2-{[4-Benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dicyclohexylacetamide | C30H38N4O2S

2-{[4-Benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dicyclohexylacetamide

  • Molecular FormulaC30H38N4O2S
  • Average mass518.713 Da
  • Monoisotopic mass518.271545 Da
  • ChemSpider ID24757814

More details:

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

2-{[4-Benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dicyclohexylacetamid [German] [ACD/IUPAC Name]
2-{[4-Benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dicyclohexylacetamide [ACD/IUPAC Name]
2-{[4-Benzyl-5-(4-méthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dicyclohexylacétamide [French] [ACD/IUPAC Name]
Acetamide, N,N-dicyclohexyl-2-[[5-(4-methoxyphenyl)-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
2-{[4-benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N,N-dicyclohexylacetamide
N,N-dicyclohexyl-2-[5-(4-methoxyphenyl)-4-benzyl(1,2,4-triazol-3-ylthio)]acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 713.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 385.0±35.7 °C
Index of Refraction: 1.642
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64475.02
ACD/KOC (pH 5.5): 96412.80
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64479.41
ACD/KOC (pH 7.4): 96419.36
Polar Surface Area: 86 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 420.7±7.0 cm3

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