Found 83 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}S'
ChemSpider 2D Image | 2-{[4-(2-{[2-(4-Biphenylyl)ethyl][(2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)phenyl]sulfanyl}-2-methylpropanoic acid | C35H38N2O5S

2-{[4-(2-{[2-(4-Biphenylyl)ethyl][(2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)phenyl]sulfanyl}-2-methylpropanoic acid

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID23119179

More details:

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

2-{[4-(2-{[2-(4-Biphenylyl)ethyl][(2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)phenyl]sulfanyl}-2-methylpropanoic acid [ACD/IUPAC Name]
2-{[4-(2-{[2-(4-Biphenylyl)ethyl][(2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)phenyl]sulfanyl}-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-{[4-(2-{[2-(4-biphénylyl)éthyl][(2,4-diméthoxyphényl)carbamoyl]amino}éthyl)phényl]sulfanyl}-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[4-[2-[(2-[1,1'-biphenyl]-4-ylethyl)[[(2,4-dimethoxyphenyl)amino]carbonyl]amino]ethyl]phenyl]thio]-2-methyl- [ACD/Index Name]
2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(2,4-dimethoxy-phenyl)-ureido]-ethyl}-phenylsulfanyl)-2-methyl-propionic acid
2-{[4-(2-{[2-(biphenyl-4-yl)ethyl][(2,4-dimethoxyphenyl)carbamoyl]amino}ethyl)phenyl]sulfanyl}-2-methylpropanoic acid
CHEMBL20495

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

Density: 1.3±0.1 g/cm3
Boiling Point: 814.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.3±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 2108.96
ACD/KOC (pH 5.5): 2657.27
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 47.72
ACD/KOC (pH 7.4): 60.12
Polar Surface Area: 113 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 475.8±5.0 cm3

Click to predict properties on the Chemicalize site


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