ChemSpider 2D Image | 2-(Benzylsulfanyl)-7-{4-[2-(diethylamino)-2-oxoethoxy]phenyl}-5-methyl-N-(3-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C33H36N6O3S

2-(Benzylsulfanyl)-7-{4-[2-(diethylamino)-2-oxoethoxy]phenyl}-5-methyl-N-(3-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

  • Molecular FormulaC33H36N6O3S
  • Average mass596.742 Da
  • Monoisotopic mass596.256958 Da
  • ChemSpider ID12191470

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, 7-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-4,7-dihydro-5-methyl-N-(3-methylphenyl)-2-[(phenylmethyl)thio]- [ACD/Index Name]
2-(Benzylsulfanyl)-7-{4-[2-(diethylamino)-2-oxoethoxy]phenyl}-5-methyl-N-(3-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-7-{4-[2-(diethylamino)-2-oxoethoxy]phenyl}-5-methyl-N-(3-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
2-(Benzylsulfanyl)-7-{4-[2-(diéthylamino)-2-oxoéthoxy]phényl}-5-méthyl-N-(3-méthylphényl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-7-{4-[2-(diethylamino)-2-oxoethoxy]phenyl}-5-methyl-N-(3-methylphenyl)-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: 1.649
Molar Refractivity: 172.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13635.40
ACD/KOC (pH 5.5): 31707.99
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13636.94
ACD/KOC (pH 7.4): 31711.58
Polar Surface Area: 127 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 472.7±7.0 cm3

Click to predict properties on the Chemicalize site


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