ChemSpider 2D Image | 2-(4-{6-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-chlorophenyl)-4-pyrimidinyl}-1-piperazinyl)ethanol | C27H29ClN6OS

2-(4-{6-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-chlorophenyl)-4-pyrimidinyl}-1-piperazinyl)ethanol

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID121896203

More details:

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

1-Piperazineethanol, 4-[6-[2-(2-benzothiazolyl)-1-pyrrolidinyl]-2-(4-chlorophenyl)-4-pyrimidinyl]- [ACD/Index Name]
2-(4-{6-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-chlorophenyl)-4-pyrimidinyl}-1-piperazinyl)ethanol [ACD/IUPAC Name]
2-(4-{6-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-chlorophényl)-4-pyrimidinyl}-1-pipérazinyl)éthanol [French] [ACD/IUPAC Name]
2-(4-{6-[2-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-(4-chlorphenyl)-4-pyrimidinyl}-1-piperazinyl)ethanol [German] [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: 671.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.8±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 23.61
ACD/KOC (pH 7.4): 108.24
Polar Surface Area: 97 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 387.1±3.0 cm3

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