ChemSpider 2D Image | 3-[4-({4-[4-Nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}carbonyl)phenyl]-2H-chromen-2-one | C31H30N4O5

3-[4-({4-[4-Nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}carbonyl)phenyl]-2H-chromen-2-one

  • Molecular FormulaC31H30N4O5
  • Average mass538.594 Da
  • Monoisotopic mass538.221619 Da
  • ChemSpider ID2245323

More details:

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

2H-1-Benzopyran-2-one, 3-[4-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]carbonyl]phenyl]- [ACD/Index Name]
3-[4-({4-[4-Nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}carbonyl)phenyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-[4-({4-[4-Nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}carbonyl)phenyl]-2H-chromen-2-one [ACD/IUPAC Name]
3-[4-({4-[4-Nitro-3-(1-pipéridinyl)phényl]-1-pipérazinyl}carbonyl)phényl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-(4-{[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]carbonyl}phenyl)-2H-chromen-2-one
3-(4-{4-[4-NITRO-3-(PIPERIDIN-1-YL)PHENYL]PIPERAZINE-1-CARBONYL}PHENYL)-2H-CHROMEN-2-ONE
3-(4-{4-[4-NITRO-3-(PIPERIDIN-1-YL)PHENYL]PIPERAZINE-1-CARBONYL}PHENYL)CHROMEN-2-ONE
3-[4-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbonyl)phenyl]-2H-chromen-2-one
3-{4-[4-(4-Nitro-3-piperidin-1-yl-phenyl)-piperazine-1-carbonyl]-phenyl}-chromen-2-one
piperazine, 1-[4-nitro-3-(1-piperidinyl)phenyl]-4-[4-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 799.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 437.3±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5358.32
ACD/KOC (pH 5.5): 16228.01
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5382.63
ACD/KOC (pH 7.4): 16301.62
Polar Surface Area: 99 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 403.7±3.0 cm3

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