ChemSpider 2D Image | 6-Methyl-5-{3-[4-(5-methyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-1-piperazinyl]-3-oxopropyl}-2,4(1H,3H)-pyrimidinedione | C18H21N7O4S

6-Methyl-5-{3-[4-(5-methyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-1-piperazinyl]-3-oxopropyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC18H21N7O4S
  • Average mass431.469 Da
  • Monoisotopic mass431.137573 Da
  • ChemSpider ID30042928

More details:






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

2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-[3-[4-(5-methyl-7-oxo-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-2-yl)-1-piperazinyl]-3-oxopropyl]- [ACD/Index Name]
6-Methyl-5-{3-[4-(5-methyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-1-piperazinyl]-3-oxopropyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
6-Methyl-5-{3-[4-(5-methyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-1-piperazinyl]-3-oxopropyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
6-Méthyl-5-{3-[4-(5-méthyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-1-pipérazinyl]-3-oxopropyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.786
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.07
Polar Surface Area: 152 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 75.0±7.0 dyne/cm
Molar Volume: 261.2±7.0 cm3

Click to predict properties on the Chemicalize site






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