Found 54 results

Search term: MF = 'C_{28}H_{28}Cl_{2}N_{4}O_{4}S'
ChemSpider 2D Image | 3-[(1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}-2-nitroethyl)sulfanyl]-4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazole | C28H28Cl2N4O4S

3-[(1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}-2-nitroethyl)sulfanyl]-4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazole

  • Molecular FormulaC28H28Cl2N4O4S
  • Average mass587.517 Da
  • Monoisotopic mass586.120850 Da
  • ChemSpider ID68330857

More details:

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

3-[(1-{4-[(2,4-Dichlorbenzyl)oxy]-3-ethoxyphenyl}-2-nitroethyl)sulfanyl]-4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-[(1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}-2-nitroethyl)sulfanyl]-4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazole [ACD/IUPAC Name]
3-[(1-{4-[(2,4-Dichlorobenzyl)oxy]-3-éthoxyphényl}-2-nitroéthyl)sulfanyl]-4-(3,4-diméthylphényl)-5-méthyl-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[[1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2-nitroethyl]thio]-4-(3,4-dimethylphenyl)-5-methyl- [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: 746.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.0±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 333770.53
ACD/KOC (pH 5.5): 311099.56
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 135363.83
ACD/KOC (pH 7.4): 126169.41
Polar Surface Area: 120 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 436.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement