ChemSpider 2D Image | (7S)-2-[(8-Benzyl-7-oxo-6,9-diazaspiro[4.5]dec-9-yl)methyl]-6,8-dihydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one | C34H33N5O2

(7S)-2-[(8-Benzyl-7-oxo-6,9-diazaspiro[4.5]dec-9-yl)methyl]-6,8-dihydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

  • Molecular FormulaC34H33N5O2
  • Average mass543.658 Da
  • Monoisotopic mass543.263428 Da
  • ChemSpider ID58900034

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(7S)-2-[(8-Benzyl-7-oxo-6,9-diazaspiro[4.5]dec-9-yl)methyl]-6,8-dihydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one [ACD/IUPAC Name]
Spiro[7H-cyclopenta[g]quinoline-7,3'-[3H]pyrrolo[2,3-b]pyridin]-2'(1'H)-one, 6,8-dihydro-2-[[7-oxo-8-(phenylmethyl)-6,9-diazaspiro[4.5]dec-9-yl]methyl]-, (7S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.1±32.9 °C
Index of Refraction: 1.728
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 385.04
ACD/KOC (pH 5.5): 1755.68
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1239.57
ACD/KOC (pH 7.4): 5652.09
Polar Surface Area: 87 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 395.0±5.0 cm3

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