ChemSpider 2D Image | N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylbutyl)butanamide | C27H32N6O3S

N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylbutyl)butanamide

  • Molecular FormulaC27H32N6O3S
  • Average mass520.646 Da
  • Monoisotopic mass520.225647 Da
  • ChemSpider ID21968621

More details:

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

Butanamide, N-[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-4-(1H-benzimidazol-2-ylthio)-N-(3-methylbutyl)- [ACD/Index Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylbutyl)butanamid [German] [ACD/IUPAC Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylbutyl)butanamide [ACD/IUPAC Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-4-(1H-benzimidazol-2-ylsulfanyl)-N-(3-méthylbutyl)butanamide [French] [ACD/IUPAC Name]
N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-4-(1H-benzimidazol-2-ylthio)-N-isoamyl-butyramide

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: 1.682
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 24.75
ACD/KOC (pH 5.5): 320.40
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 27.77
ACD/KOC (pH 7.4): 359.44
Polar Surface Area: 150 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 386.6±5.0 cm3

Click to predict properties on the Chemicalize site


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