ChemSpider 2D Image | N-(4-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}phenyl)nicotinamide | C31H28N6O5S

N-(4-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}phenyl)nicotinamide

  • Molecular FormulaC31H28N6O5S
  • Average mass596.656 Da
  • Monoisotopic mass596.184204 Da
  • ChemSpider ID2510188

More details:

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

3-Pyridinecarboxamide, N-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]methyl]-1,3-dioxan-2-yl]phenyl]- [ACD/Index Name]
N-(4-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}phenyl)nicotinamid [German] [ACD/IUPAC Name]
N-(4-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}phenyl)nicotinamide [ACD/IUPAC Name]
N-(4-{4-[4-(Hydroxyméthyl)phényl]-6-({[1-(4-hydroxyphényl)-1H-tétrazol-5-yl]sulfanyl}méthyl)-1,3-dioxan-2-yl}phényl)nicotinamide [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: 1.716
Molar Refractivity: 162.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.68
ACD/KOC (pH 5.5): 1404.33
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 130.12
ACD/KOC (pH 7.4): 1040.19
Polar Surface Area: 170 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 413.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement