ChemSpider 2D Image | 6-{4-[(5-Chloro-1H-indol-2-yl)carbonyl]-1-piperazinyl}-1,3-diisopropyl-2,4(1H,3H)-pyrimidinedione | C23H28ClN5O3

6-{4-[(5-Chloro-1H-indol-2-yl)carbonyl]-1-piperazinyl}-1,3-diisopropyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC23H28ClN5O3
  • Average mass457.953 Da
  • Monoisotopic mass457.188080 Da
  • ChemSpider ID29174128

More details:

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

2,4(1H,3H)-Pyrimidinedione, 6-[4-[(5-chloro-1H-indol-2-yl)carbonyl]-1-piperazinyl]-1,3-bis(1-methylethyl)- [ACD/Index Name]
6-{4-[(5-Chlor-1H-indol-2-yl)carbonyl]-1-piperazinyl}-1,3-diisopropyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
6-{4-[(5-Chloro-1H-indol-2-yl)carbonyl]-1-piperazinyl}-1,3-diisopropyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
6-{4-[(5-Chloro-1H-indol-2-yl)carbonyl]-1-pipérazinyl}-1,3-diisopropyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(2,3-Dihydro-1H-inden-5-ylsulfonyl)-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.1±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 17.10
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 31.63
ACD/KOC (pH 7.4): 359.47
Polar Surface Area: 80 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 340.7±3.0 cm3

Click to predict properties on the Chemicalize site


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