Found 1 result

Search term: Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCC(CC1)C(=O)N1CCc2cccc3C(=O)NC[C@H]1c23 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (9aR)-1-[(1-{2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoyl}-4-piperidinyl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one | C33H30FN5O4

(9aR)-1-[(1-{2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoyl}-4-piperidinyl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one

  • Molecular FormulaC33H30FN5O4
  • Average mass579.621 Da
  • Monoisotopic mass579.228210 Da
  • ChemSpider ID35033540

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9aR)-1-[(1-{2-Fluor-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoyl}-4-piperidinyl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-on [German] [ACD/IUPAC Name]
(9aR)-1-[(1-{2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phtalazinyl)méthyl]benzoyl}-4-pipéridinyl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphtyridin-7-one [French] [ACD/IUPAC Name]
(9aR)-1-[(1-{2-Fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoyl}-4-piperidinyl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one [ACD/IUPAC Name]
(9ar)-1-[(1-{2-Fluoro-5-[(4-Oxo-3,4-Dihydrophthalazin-1-Yl)methyl]benzoyl}piperidin-4-Yl)carbonyl]-1,2,3,8,9,9a-Hexahydro-7h-Benzo[de][1,7]naphthyridin-7-One
7H-Benzo[de][1,7]naphthyridin-7-one, 1-[[1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]-4-piperidinyl]carbonyl]-1,2,3,8,9,9a-hexahydro-, (9aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.50
ACD/KOC (pH 5.5): 291.82
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.50
ACD/KOC (pH 7.4): 291.81
Polar Surface Area: 111 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 390.9±7.0 cm3

Click to predict properties on the Chemicalize site


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