ChemSpider 2D Image | 5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-2-{4-[3-(1-pyrrolidinyl)propoxy]phenyl}-1,3-thiazole | C32H35ClN2O2S

5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-2-{4-[3-(1-pyrrolidinyl)propoxy]phenyl}-1,3-thiazole

  • Molecular FormulaC32H35ClN2O2S
  • Average mass547.151 Da
  • Monoisotopic mass546.210754 Da
  • ChemSpider ID28650168

More details:

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

5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-2-{4-[3-(1-pyrrolidinyl)propoxy]phenyl}-1,3-thiazole [ACD/IUPAC Name]
5-Butyl-4-[4-(4-chlorophénoxy)phényl]-2-{4-[3-(1-pyrrolidinyl)propoxy]phényl}-1,3-thiazole [French] [ACD/IUPAC Name]
5-Butyl-4-[4-(4-chlorphenoxy)phenyl]-2-{4-[3-(1-pyrrolidinyl)propoxy]phenyl}-1,3-thiazol [German] [ACD/IUPAC Name]
Thiazole, 5-butyl-4-[4-(4-chlorophenoxy)phenyl]-2-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.4±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.38
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 893.76
ACD/KOC (pH 5.5): 597.60
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 2844.46
ACD/KOC (pH 7.4): 1901.90
Polar Surface Area: 63 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 463.9±3.0 cm3

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