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

N-[(3'-{4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]-N'-hydroxypentanediamide

  • Molecular FormulaC37H37N3O6S2
  • Average mass683.836 Da
  • Monoisotopic mass683.212402 Da
  • ChemSpider ID4267779

More details:






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

N-[(3'-{4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]-N'-hydroxypentandiamid [German] [ACD/IUPAC Name]
N-[(3'-{4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}-3-biphenylyl)methyl]-N'-hydroxypentanediamide [ACD/IUPAC Name]
N-[(3'-{4-[(1,3-Benzothiazol-2-ylsulfanyl)méthyl]-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}-3-biphénylyl)méthyl]-N'-hydroxypentanediamide [French] [ACD/IUPAC Name]
Pentanediamide, N1-[[3'-[4-[(2-benzothiazolylthio)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]-N5-hydroxy- [ACD/Index 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: 1.705
Molar Refractivity: 189.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 711.39
ACD/KOC (pH 5.5): 3829.31
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 703.54
ACD/KOC (pH 7.4): 3787.05
Polar Surface Area: 184 Å2
Polarizability: 75.3±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 488.9±5.0 cm3

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