ChemSpider 2D Image | N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide | C18H21N7O4S

N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide

  • Molecular FormulaC18H21N7O4S
  • Average mass431.469 Da
  • Monoisotopic mass431.137573 Da
  • ChemSpider ID22423507

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]-N-(2-methoxyethyl)-2-(4H-1,2,4-triazol-3-ylthio)- [ACD/Index Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamid [German] [ACD/IUPAC Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide [ACD/IUPAC Name]
N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-N-(2-méthoxyéthyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.20
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.72
Polar Surface Area: 172 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 87.5±5.0 dyne/cm
Molar Volume: 287.8±5.0 cm3

Click to predict properties on the Chemicalize site






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