ChemSpider 2D Image | 2-{6-[4-(4-Benzyl-1-phthalazinyl)-1-piperazinyl]-3-pyridinyl}-2-propanol | C27H29N5O

2-{6-[4-(4-Benzyl-1-phthalazinyl)-1-piperazinyl]-3-pyridinyl}-2-propanol

  • Molecular FormulaC27H29N5O
  • Average mass439.552 Da
  • Monoisotopic mass439.237213 Da
  • ChemSpider ID24703117

More details:

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

2-{6-[4-(4-Benzyl-1-phtalazinyl)-1-pipérazinyl]-3-pyridinyl}-2-propanol [French] [ACD/IUPAC Name]
2-{6-[4-(4-Benzyl-1-phthalazinyl)-1-piperazinyl]-3-pyridinyl}-2-propanol [German] [ACD/IUPAC Name]
2-{6-[4-(4-Benzyl-1-phthalazinyl)-1-piperazinyl]-3-pyridinyl}-2-propanol [ACD/IUPAC Name]
2-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol
3-Pyridinemethanol, α,α-dimethyl-6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]- [ACD/Index Name]
1057677-92-5 [RN]
2-(6-(4-(4-benzylphthalazin-1-yl)piperazin-1-yl)pyridin-3-yl)propan-2-ol
A8T
ANTA XV
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485870/
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 717.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 387.8±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 13.55
Polar Surface Area: 65 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 357.8±3.0 cm3

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