Found 1 result

Search term: 22937097 (Found by CSID)
ChemSpider 2D Image | 1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)urea | C26H40N4O3

1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)urea

  • Molecular FormulaC26H40N4O3
  • Average mass456.621 Da
  • Monoisotopic mass456.310028 Da
  • ChemSpider ID22937097

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)harnstoff [German] [ACD/IUPAC Name]
1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)urea [ACD/IUPAC Name]
1-({(1S,4S,6S)-6-Isopropyl-3-méthyl-4-[2-(4-méthyl-1-pipérazinyl)-2-oxoéthyl]-2-cyclohexén-1-yl}méthyl)-3-(3-méthoxyphényl)urée [French] [ACD/IUPAC Name]
Urea, N-(3-methoxyphenyl)-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 33.24
ACD/KOC (pH 5.5): 179.68
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 557.58
ACD/KOC (pH 7.4): 3014.29
Polar Surface Area: 74 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 417.0±3.0 cm3

Click to predict properties on the Chemicalize site


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