ChemSpider 2D Image | 7-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-1,3-diethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione | C23H28ClN5O3

7-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-1,3-diethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

  • Molecular FormulaC23H28ClN5O3
  • Average mass457.953 Da
  • Monoisotopic mass457.188080 Da
  • ChemSpider ID29179740

More details:

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

1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, 7-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1,3-diethyl- [ACD/Index Name]
7-{2-[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-1,3-diethyl-1H-pyrrolo[2,3-d]pyrimidin-2,4(3H,7H)-dion [German] [ACD/IUPAC Name]
7-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-1,3-diethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione [ACD/IUPAC Name]
7-{2-[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]-2-oxoéthyl}-1,3-diéthyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione [French] [ACD/IUPAC Name]
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 665.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.5±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 124.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.19
ACD/KOC (pH 5.5): 1478.24
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.23
ACD/KOC (pH 7.4): 1478.53
Polar Surface Area: 69 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 341.0±7.0 cm3

Click to predict properties on the Chemicalize site


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