ChemSpider 2D Image | Ethyl N-{[(4'-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}-2-biphenylyl)methyl]carbamoyl}glycinate | C37H37N3O6S2

Ethyl N-{[(4'-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}-2-biphenylyl)methyl]carbamoyl}glycinate

  • Molecular FormulaC37H37N3O6S2
  • Average mass683.836 Da
  • Monoisotopic mass683.212402 Da
  • ChemSpider ID3773450

More details:






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

Ethyl N-{[(4'-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}-2-biphenylyl)methyl]carbamoyl}glycinate [ACD/IUPAC Name]
Ethyl-N-{[(4'-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}-2-biphenylyl)methyl]carbamoyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[[[4'-[4-[(2-benzothiazolylthio)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-2-yl]methyl]amino]carbonyl]-, ethyl ester [ACD/Index Name]
N-{[(4'-{4-[(1,3-Benzothiazol-2-ylsulfanyl)méthyl]-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}-2-biphénylyl)méthyl]carbamoyl}glycinate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 190.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22367.33
ACD/KOC (pH 5.5): 45189.59
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22365.29
ACD/KOC (pH 7.4): 45185.47
Polar Surface Area: 173 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 497.7±5.0 cm3

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