ChemSpider 2D Image | N-{2-[(6-Amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl}-N-methyl-2-(methylsulfanyl)nicotinamide | C22H32N6O4S

N-{2-[(6-Amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl}-N-methyl-2-(methylsulfanyl)nicotinamide

  • Molecular FormulaC22H32N6O4S
  • Average mass476.592 Da
  • Monoisotopic mass476.220581 Da
  • ChemSpider ID30546872

More details:

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

3-Pyridinecarboxamide, N-[2-[[6-amino-1,2,3,4-tetrahydro-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl](2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-(methylthio)- [ACD/Index Name]
N-{2-[(6-Amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl}-N-methyl-2-(methylsulfanyl)nicotinamid [German] [ACD/IUPAC Name]
N-{2-[(6-Amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl}-N-methyl-2-(methylsulfanyl)nicotinamide [ACD/IUPAC Name]
N-{2-[(6-Amino-1-isobutyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoéthyl}-N-méthyl-2-(méthylsulfanyl)nicotinamide [French] [ACD/IUPAC Name]
1147515-00-1 [RN]
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-{N-methyl-1-[2-(methylsulfanyl)pyridin-3-yl]formamido}-N-(2-methylpropyl)acetamide

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: 1.614
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.36
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.71
Polar Surface Area: 154 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 367.1±5.0 cm3

Click to predict properties on the Chemicalize site


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