Found 375 results

Search term: MF = 'C_{35}H_{31}N_{3}O_{4}'
ChemSpider 2D Image | N-{4-[4-(4-Ethylbenzoyl)-1-piperazinyl]phenyl}-3-(2-oxo-2H-chromen-3-yl)benzamide | C35H31N3O4

N-{4-[4-(4-Ethylbenzoyl)-1-piperazinyl]phenyl}-3-(2-oxo-2H-chromen-3-yl)benzamide

  • Molecular FormulaC35H31N3O4
  • Average mass557.638 Da
  • Monoisotopic mass557.231445 Da
  • ChemSpider ID25974866

More details:

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

Benzamide, N-[4-[4-(4-ethylbenzoyl)-1-piperazinyl]phenyl]-3-(2-oxo-2H-1-benzopyran-3-yl)- [ACD/Index Name]
N-{4-[4-(4-Ethylbenzoyl)-1-piperazinyl]phenyl}-3-(2-oxo-2H-chromen-3-yl)benzamid [German] [ACD/IUPAC Name]
N-{4-[4-(4-Ethylbenzoyl)-1-piperazinyl]phenyl}-3-(2-oxo-2H-chromen-3-yl)benzamide [ACD/IUPAC Name]
N-{4-[4-(4-Éthylbenzoyl)-1-pipérazinyl]phényl}-3-(2-oxo-2H-chromén-3-yl)benzamide [French] [ACD/IUPAC Name]
N-{4-[4-(4-ETHYLBENZOYL)PIPERAZIN-1-YL]PHENYL}-3-(2-OXO-2H-CHROMEN-3-YL)BENZAMIDE
N-{4-[4-(4-ETHYLBENZOYL)PIPERAZIN-1-YL]PHENYL}-3-(2-OXOCHROMEN-3-YL)BENZAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3713.92
ACD/KOC (pH 5.5): 12451.93
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3763.06
ACD/KOC (pH 7.4): 12616.68
Polar Surface Area: 79 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 431.3±3.0 cm3

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