ChemSpider 2D Image | 1-(4-{4-[4-(2-Hydroxyethyl)-1-piperazinyl]phenoxy}-3-methoxyphenyl)-3-[3-(5-methyl-1H-imidazol-1-yl)propyl]thiourea | C27H36N6O3S

1-(4-{4-[4-(2-Hydroxyethyl)-1-piperazinyl]phenoxy}-3-methoxyphenyl)-3-[3-(5-methyl-1H-imidazol-1-yl)propyl]thiourea

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID90669842

More details:

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

1-(4-{4-[4-(2-Hydroxyethyl)-1-piperazinyl]phenoxy}-3-methoxyphenyl)-3-[3-(5-methyl-1H-imidazol-1-yl)propyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(4-{4-[4-(2-Hydroxyethyl)-1-piperazinyl]phenoxy}-3-methoxyphenyl)-3-[3-(5-methyl-1H-imidazol-1-yl)propyl]thiourea [ACD/IUPAC Name]
1-(4-{4-[4-(2-Hydroxyéthyl)-1-pipérazinyl]phénoxy}-3-méthoxyphényl)-3-[3-(5-méthyl-1H-imidazol-1-yl)propyl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[4-[4-[4-(2-hydroxyethyl)-1-piperazinyl]phenoxy]-3-methoxyphenyl]-N'-[3-(5-methyl-1H-imidazol-1-yl)propyl]- [ACD/Index 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: 725.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.3±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 5.62
ACD/KOC (pH 7.4): 87.99
Polar Surface Area: 119 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 416.3±7.0 cm3

Click to predict properties on the Chemicalize site


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