Found 33 results

Search term: MF = 'C_{35}H_{32}N_{4}O_{2}S'
ChemSpider 2D Image | 4'-[(3-{[(2'-Cyano-4-biphenylyl)methyl]sulfanyl}-5-pentyl-1H-1,2,4-triazol-1-yl)methyl]-2-biphenylcarboxylic acid | C35H32N4O2S

4'-[(3-{[(2'-Cyano-4-biphenylyl)methyl]sulfanyl}-5-pentyl-1H-1,2,4-triazol-1-yl)methyl]-2-biphenylcarboxylic acid

  • Molecular FormulaC35H32N4O2S
  • Average mass572.719 Da
  • Monoisotopic mass572.224609 Da
  • ChemSpider ID23205015

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[3-[[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]thio]-5-pentyl-1H-1,2,4-triazol-1-yl]methyl]- [ACD/Index Name]
4'-[(3-{[(2'-Cyan-4-biphenylyl)methyl]sulfanyl}-5-pentyl-1H-1,2,4-triazol-1-yl)methyl]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(3-{[(2'-Cyano-4-biphenylyl)methyl]sulfanyl}-5-pentyl-1H-1,2,4-triazol-1-yl)methyl]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-[(3-{[(2'-cyanobiphenyl-4-yl)methyl]sulfanyl}-5-pentyl-1H-1,2,4-triazol-1-yl)methyl]biphenyl-2-carboxylic acid
Acide 4'-[(3-{[(2'-cyano-4-biphénylyl)méthyl]sulfanyl}-5-pentyl-1H-1,2,4-triazol-1-yl)méthyl]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
4'-[3-(2'-Cyano-biphenyl-4-ylmethylsulfanyl)-5-pentyl-[1,2,4]triazol-1-ylmethyl]-biphenyl-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL341009/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 806.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 441.3±37.1 °C
Index of Refraction: 1.642
Molar Refractivity: 172.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.15
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 65777.75
ACD/KOC (pH 5.5): 33192.57
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 2906.15
ACD/KOC (pH 7.4): 1466.49
Polar Surface Area: 117 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 477.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement