ChemSpider 2D Image | N-(4-Chloro-2,5-dimethoxyphenyl)-7-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-methyl-1,2,3,3a,4,7-hexahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C29H31ClFN5O5

N-(4-Chloro-2,5-dimethoxyphenyl)-7-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-methyl-1,2,3,3a,4,7-hexahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

  • Molecular FormulaC29H31ClFN5O5
  • Average mass584.038 Da
  • Monoisotopic mass583.199768 Da
  • ChemSpider ID110259703

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-7-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,2,3,3a,4,7-hexahydro-5-methyl- [ACD/Index Name]
N-(4-Chlor-2,5-dimethoxyphenyl)-7-{4-[(4-fluorbenzyl)oxy]-3-methoxyphenyl}-5-methyl-1,2,3,3a,4,7-hexahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
N-(4-Chloro-2,5-dimethoxyphenyl)-7-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-methyl-1,2,3,3a,4,7-hexahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
N-(4-Chloro-2,5-diméthoxyphényl)-7-{4-[(4-fluorobenzyl)oxy]-3-méthoxyphényl}-5-méthyl-1,2,3,3a,4,7-hexahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [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: 1.658
Molar Refractivity: 152.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 566.05
ACD/KOC (pH 5.5): 2471.45
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1456.28
ACD/KOC (pH 7.4): 6358.27
Polar Surface Area: 105 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 415.4±5.0 cm3

Click to predict properties on the Chemicalize site


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