ChemSpider 2D Image | 2-{[4-Allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)acetamide | C24H30ClN7O4S

2-{[4-Allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)acetamide

  • Molecular FormulaC24H30ClN7O4S
  • Average mass548.057 Da
  • Monoisotopic mass547.176880 Da
  • ChemSpider ID11843262

More details:

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

2-{[4-Allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)acetamide [ACD/IUPAC Name]
2-{[4-Allyl-5-(4-chlorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-N-(2-méthoxyéthyl)acétamide [French] [ACD/IUPAC Name]
2-{[4-Allyl-5-(4-chlorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, N-(6-amino-1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-2-[[5-(4-chlorophenyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxyethyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.71
ACD/KOC (pH 5.5): 354.09
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.42
ACD/KOC (pH 7.4): 336.32
Polar Surface Area: 161 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 395.7±7.0 cm3

Click to predict properties on the Chemicalize site


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