ChemSpider 2D Image | 3-{[2-(6-Amino-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl]amino}-N-cyclopropyl-4-methoxybenzenesulfonamide | C21H29N5O6S

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

  • Molecular FormulaC21H29N5O6S
  • Average mass479.550 Da
  • Monoisotopic mass479.183868 Da
  • ChemSpider ID22817765

More details:

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

3-{[2-(6-Amino-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl]amino}-N-cyclopropyl-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
3-{[2-(6-Amino-1-isobutyl-3-méthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-2-oxoéthyl]amino}-N-cyclopropyl-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
3-{[2-(6-Amino-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl]amino}-N-cyclopropyl-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[[2-[6-amino-1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-oxoethyl]amino]-N-cyclopropyl-4-methoxy- [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: 650.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 76.00
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 76.05
Polar Surface Area: 160 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 338.3±5.0 cm3

Click to predict properties on the Chemicalize site


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