Found 86 results

Search term: MF = 'C_{29}H_{42}N_{4}O'
ChemSpider 2D Image | 1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-phenylurea | C29H42N4O

1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-phenylurea

  • Molecular FormulaC29H42N4O
  • Average mass462.670 Da
  • Monoisotopic mass462.335876 Da
  • ChemSpider ID23259375

More details:

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

1-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-phenylurea
1-{2-(4-Cyclohexyl-1-piperazinyl)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-{2-(4-Cyclohexyl-1-piperazinyl)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}-3-phenylurea [ACD/IUPAC Name]
1-{2-(4-Cyclohexyl-1-pipérazinyl)-2-[4-(2-méthyl-2-propanyl)phényl]éthyl}-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-[2-(4-cyclohexyl-1-piperazinyl)-2-[4-(1,1-dimethylethyl)phenyl]ethyl]-N'-phenyl- [ACD/Index Name]
1-[2-(4-tert-Butyl-phenyl)-2-(4-cyclohexyl-piperazin-1-yl)-ethyl]-3-phenyl-urea
CHEMBL195427

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

Density: 1.1±0.1 g/cm3
Boiling Point: 583.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.5±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 67.61
ACD/KOC (pH 5.5): 157.19
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 3412.25
ACD/KOC (pH 7.4): 7933.50
Polar Surface Area: 48 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 417.2±3.0 cm3

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