ChemSpider 2D Image | 7-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-2-[(2-hydroxyethyl)amino]-4-isopropyl-2,4,6-cycloheptatrien-1-one | C30H35F2N3O2

7-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-2-[(2-hydroxyethyl)amino]-4-isopropyl-2,4,6-cycloheptatrien-1-one

  • Molecular FormulaC30H35F2N3O2
  • Average mass507.615 Da
  • Monoisotopic mass507.269745 Da
  • ChemSpider ID116928

More details:

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

(7E)-2-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-7-[(2-hydroxyethyl)imino]-5-(propan-2-yl)cyclohepta-1,3,5-trien-1-ol
1,3,5-cycloheptatrien-1-ol, 2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-7-[(2-hydroxyethyl)imino]-5-(1-methylethyl)-, (7E)-
2,4,6-Cycloheptatrien-1-one, 7-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-2-[(2-hydroxyethyl)amino]-4-(1-methylethyl)- [ACD/Index Name]
7-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-2-[(2-hydroxyethyl)amino]-4-isopropyl-2,4,6-cycloheptatrien-1-one [ACD/IUPAC Name]
7-({4-[Bis(4-fluorophényl)méthyl]-1-pipérazinyl}méthyl)-2-[(2-hydroxyéthyl)amino]-4-isopropyl-2,4,6-cycloheptatrién-1-one [French] [ACD/IUPAC Name]
7-({4-[Bis(4-fluorphenyl)methyl]-1-piperazinyl}methyl)-2-[(2-hydroxyethyl)amino]-4-isopropyl-2,4,6-cycloheptatrien-1-on [German] [ACD/IUPAC Name]
142223-92-5 [RN]
2,4,6-Cycloheptatrien-1-one, 7-((4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)methyl)-2-((2-hydroxyethyl)amino)-4-(1-methylethyl)-
2,4,6-CYCLOHEPTATRIEN-1-ONE,7-[[4-[BIS(4-FLUOROPHENYL)METHYL]-1-PIPERAZINYL]METHYL]-2-[(2-HYDROXYETHYL)AMINO]-4-(1-METHYLETHYL)-
7-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-ylmethyl}-2-(2-hydroxy-ethylamino)-4-isopropyl-cyclohepta-2,4,6-trienone(U-92032)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

U 92032 [DBID]
U-92032 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 201.80
ACD/KOC (pH 5.5): 1006.12
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 891.07
ACD/KOC (pH 7.4): 4442.60
Polar Surface Area: 56 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 409.2±5.0 cm3

Click to predict properties on the Chemicalize site


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