Found 489 results

Search term: MF = 'C_{33}H_{29}N_{3}O_{5}'
ChemSpider 2D Image | 2-[1-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 9H-xanthene-9-carboxylate | C33H29N3O5

2-[1-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 9H-xanthene-9-carboxylate

  • Molecular FormulaC33H29N3O5
  • Average mass547.601 Da
  • Monoisotopic mass547.210693 Da
  • ChemSpider ID1809262

More details:

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

2-[1-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 9H-xanthene-9-carboxylate [ACD/IUPAC Name]
2-[1-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl-9H-xanthen-9-carboxylat [German] [ACD/IUPAC Name]
9H-Xanthène-9-carboxylate de 2-[1-(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
9H-Xanthene-9-carboxylic acid, 2-[1-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester [ACD/Index Name]

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

ZINC03308274 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 609.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.4±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 155.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7723.33
ACD/KOC (pH 5.5): 21109.65
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7723.33
ACD/KOC (pH 7.4): 21109.65
Polar Surface Area: 81 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 425.6±7.0 cm3

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