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Search term: ZZCMDTGVSVSYGD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[3-(4-{5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)propyl]-4-methylpiperazine | C33H38ClN3O2S

1-[3-(4-{5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)propyl]-4-methylpiperazine

  • Molecular FormulaC33H38ClN3O2S
  • Average mass576.192 Da
  • Monoisotopic mass575.237305 Da
  • ChemSpider ID28646755

More details:

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

1-[3-(4-{5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)propyl]-4-methylpiperazine [ACD/IUPAC Name]
1-[3-(4-{5-Butyl-4-[4-(4-chlorophénoxy)phényl]-1,3-thiazol-2-yl}phénoxy)propyl]-4-méthylpipérazine [French] [ACD/IUPAC Name]
1-[3-(4-{5-Butyl-4-[4-(4-chlorphenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)propyl]-4-methylpiperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[3-[4-[5-butyl-4-[4-(4-chlorophenoxy)phenyl]-2-thiazolyl]phenoxy]propyl]-4-methyl- [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: 710.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.4±35.7 °C
Index of Refraction: 1.590
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 1579.53
ACD/KOC (pH 5.5): 1530.20
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 80294.00
ACD/KOC (pH 7.4): 77786.79
Polar Surface Area: 66 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 492.7±3.0 cm3

Click to predict properties on the Chemicalize site


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