ChemSpider 2D Image | 2-(Methylamino)ethyl {[4-(3-chloro-4-{[({1-[2-chloro-4-(2-methyl-2-propanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}phenyl)-2-methyl-3-butyn-2-yl]oxy}acetate | C29H34Cl2N6O4S

2-(Methylamino)ethyl {[4-(3-chloro-4-{[({1-[2-chloro-4-(2-methyl-2-propanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}phenyl)-2-methyl-3-butyn-2-yl]oxy}acetate

  • Molecular FormulaC29H34Cl2N6O4S
  • Average mass633.589 Da
  • Monoisotopic mass632.173950 Da
  • ChemSpider ID17236872

More details:

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

{[4-(3-Chloro-4-{[2-({1-[2-chloro-4-(2-méthyl-2-propanyl)phényl]-1H-tétrazol-5-yl}sulfanyl)acétyl]amino}phényl)-2-méthyl-3-butyn-2-yl]oxy}acétate de 2-(méthylamino)éthyle [French] [ACD/IUPAC Name]
2-(Methylamino)ethyl {[4-(3-chloro-4-{[({1-[2-chloro-4-(2-methyl-2-propanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}phenyl)-2-methyl-3-butyn-2-yl]oxy}acetate [ACD/IUPAC Name]
2-(Methylamino)ethyl-{[4-(3-chlor-4-{[({1-[2-chlor-4-(2-methyl-2-propanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetyl]amino}phenyl)-2-methyl-3-butin-2-yl]oxy}acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[3-[3-chloro-4-[[2-[[1-[2-chloro-4-(1,1-dimethylethyl)phenyl]-1H-tetrazol-5-yl]thio]acetyl]amino]phenyl]-1,1-dimethyl-2-propyn-1-yl]oxy]-, 2-(methylamino)ethyl ester [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 169.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 40.96
ACD/KOC (pH 5.5): 76.66
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 1366.09
ACD/KOC (pH 7.4): 2557.04
Polar Surface Area: 146 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 493.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement