ChemSpider 2D Image | 1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[4-(4-isopropylbenzyl)-1-piperazinyl]-2-propanyl benzoate | C31H38N6O4

1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[4-(4-isopropylbenzyl)-1-piperazinyl]-2-propanyl benzoate

  • Molecular FormulaC31H38N6O4
  • Average mass558.671 Da
  • Monoisotopic mass558.295471 Da
  • ChemSpider ID181541

More details:

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

1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[4-(4-isopropylbenzyl)-1-piperazinyl]-2-propanyl benzoate [ACD/IUPAC Name]
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[4-(4-isopropylbenzyl)-1-piperazinyl]-2-propanyl-benzoat [German] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 7-[2-(benzoyloxy)-3-[4-[[4-(1-methylethyl)phenyl]methyl]-1-piperazinyl]propyl]-3,7-dihydro-1,3-dimethyl- [ACD/Index Name]
Benzoate de 1-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-3-[4-(4-isopropylbenzyl)-1-pipérazinyl]-2-propanyle [French] [ACD/IUPAC Name]
1-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)-3-{4-[4-(PROPAN-2-YL)BENZYL]PIPERAZIN-1-YL}PROPAN-2-YL BENZOATE
19977-12-9 [RN]
1-Piperazineethanol, α-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-isopr opylbenzyl)-, benzoate (ester
1-PIPERAZINEETHANOL, α-(1,3-DIMETHYL-7-XANTHINYLMETHYL)-4-(P-ISOPR OPYLBENZYL)-, BENZOATE (ESTER)
1-Piperazineethanol, α-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-isopropylbenzyl)-, benzoate (ester)
5653-81-6 [RN]
More...

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

BRN 0601476 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.1±35.7 °C
Index of Refraction: 1.638
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 25.11
ACD/KOC (pH 5.5): 133.03
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 548.53
ACD/KOC (pH 7.4): 2905.50
Polar Surface Area: 91 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 441.7±7.0 cm3

Click to predict properties on the Chemicalize site


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