ChemSpider 2D Image | 6-Amino-1-benzyl-5-({[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,4(1H,3H)-pyrimidinedione | C25H25ClN6O4S

6-Amino-1-benzyl-5-({[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC25H25ClN6O4S
  • Average mass541.022 Da
  • Monoisotopic mass540.134644 Da
  • ChemSpider ID11837944

More details:

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

2,4(1H,3H)-Pyrimidinedione, 6-amino-5-[2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-3-methyl-1-(phenylmethyl)- [ACD/Index Name]
6-Amino-1-benzyl-5-({[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
6-Amino-1-benzyl-5-({[5-(4-chlorphenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
6-Amino-1-benzyl-5-(2-{[5-(4-chlorophényl)-4-(2-méthoxyéthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)-3-méthyl-2,4(1H,3H)-pyrimidinedione [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: 714.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.1±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.28
ACD/KOC (pH 5.5): 831.77
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.31
ACD/KOC (pH 7.4): 832.07
Polar Surface Area: 149 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 379.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement