ChemSpider 2D Image | N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-{[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-isobutylacetamide | C21H27N7O3S2

N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-{[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-isobutylacetamide

  • Molecular FormulaC21H27N7O3S2
  • Average mass489.614 Da
  • Monoisotopic mass489.161682 Da
  • ChemSpider ID22310178

More details:






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

Acetamide, N-[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methylpropyl)- [ACD/Index Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-{[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-isobutylacetamid [German] [ACD/IUPAC Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-{[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-isobutylacetamide [ACD/IUPAC Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-2-{[5-(éthylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-isobutylacétamide [French] [ACD/IUPAC 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: 1.669
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.76
ACD/KOC (pH 5.5): 121.36
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 115.13
Polar Surface Area: 187 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 348.2±5.0 cm3

Click to predict properties on the Chemicalize site






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