ChemSpider 2D Image | 7-(3,4-Dimethoxyphenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-N-phenyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C30H31N5O3S

7-(3,4-Dimethoxyphenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-N-phenyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID22948672

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, 7-(3,4-dimethoxyphenyl)-2-[[(2,4-dimethylphenyl)methyl]thio]-4,7-dihydro-5-methyl-N-phenyl- [ACD/Index Name]
7-(3,4-Dimethoxyphenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-N-phenyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7-(3,4-Dimethoxyphenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-N-phenyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
7-(3,4-Diméthoxyphényl)-2-[(2,4-diméthylbenzyl)sulfanyl]-5-méthyl-N-phényl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7-(3,4-Dimethoxy-phenyl)-2-(2,4-dimethyl-benzylsulfanyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid phenylamide
7-(3,4-dimethoxyphenyl)-2-[(2,4-dimethylbenzyl)sulfanyl]-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26413.21
ACD/KOC (pH 5.5): 50899.63
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26415.27
ACD/KOC (pH 7.4): 50903.60
Polar Surface Area: 116 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 422.3±7.0 cm3

Click to predict properties on the Chemicalize site


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