ChemSpider 2D Image | N-Carbamoyl-3-{[6,8-dimethyl-2-(2-methyl-2-propanyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanamide | C16H22N6O4S

N-Carbamoyl-3-{[6,8-dimethyl-2-(2-methyl-2-propanyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanamide

  • Molecular FormulaC16H22N6O4S
  • Average mass394.449 Da
  • Monoisotopic mass394.142334 Da
  • ChemSpider ID21644490

More details:

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

N-Carbamoyl-3-{[6,8-dimethyl-2-(2-methyl-2-propanyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
N-Carbamoyl-3-{[6,8-dimethyl-2-(2-methyl-2-propanyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanamide [ACD/IUPAC Name]
N-Carbamoyl-3-{[6,8-diméthyl-2-(2-méthyl-2-propanyl)-5,7-dioxo-5,6,7,8-tétrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(aminocarbonyl)-3-[[2-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-6,8-dimethyl-5,7-dioxopyrimido[4,5-d]pyrimidin-4-yl]thio]- [ACD/Index 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: 1.633
Molar Refractivity: 99.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 105.98
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 106.34
Polar Surface Area: 164 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 278.3±5.0 cm3

Click to predict properties on the Chemicalize site


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