ChemSpider 2D Image | 7-{4-[(3-Chloro-4-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine | C24H25ClN6O3S

7-{4-[(3-Chloro-4-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine

  • Molecular FormulaC24H25ClN6O3S
  • Average mass513.012 Da
  • Monoisotopic mass512.139709 Da
  • ChemSpider ID22771791

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine, 7-[4-[(3-chloro-4-methylphenyl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]-6-(4-methoxyphenyl)- [ACD/Index Name]
7-{4-[(3-Chlor-4-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
7-{4-[(3-Chloro-4-methylphenyl)sulfonyl]-1,4-diazepan-1-yl}-6-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
7-{4-[(3-Chloro-4-méthylphényl)sulfonyl]-1,4-diazépan-1-yl}-6-(4-méthoxyphényl)[1,2,4]triazolo[1,5-a]pyrimidine [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: 1.693
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 263.62
ACD/KOC (pH 5.5): 1879.13
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.85
ACD/KOC (pH 7.4): 1887.90
Polar Surface Area: 101 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 356.8±7.0 cm3

Click to predict properties on the Chemicalize site


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