ChemSpider 2D Image | 7-[({4-Cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one | C26H30N6O4S3

7-[({4-Cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC26H30N6O4S3
  • Average mass586.749 Da
  • Monoisotopic mass586.149048 Da
  • ChemSpider ID3540384

More details:






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

5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-[[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]methyl]- [ACD/Index Name]
7-[({4-Cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
7-[({4-Cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
7-[({4-Cycloheptyl-5-[3-(4-morpholinylsulfonyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 811.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 444.6±37.1 °C
Index of Refraction: 1.759
Molar Refractivity: 155.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.75
ACD/KOC (pH 5.5): 1151.51
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.75
ACD/KOC (pH 7.4): 1151.55
Polar Surface Area: 169 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 70.0±7.0 dyne/cm
Molar Volume: 378.9±7.0 cm3

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