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Search term: NQXJBTPJJMSCCJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[4-(1,4-Diazepan-1-ylcarbonyl)benzoyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one | C24H26N4O3

1-[4-(1,4-Diazepan-1-ylcarbonyl)benzoyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one

  • Molecular FormulaC24H26N4O3
  • Average mass418.488 Da
  • Monoisotopic mass418.200500 Da
  • ChemSpider ID24645133

More details:

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

1-[4-(1,4-Diazepan-1-ylcarbonyl)benzoyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-on [German] [ACD/IUPAC Name]
1-[4-(1,4-Diazepan-1-ylcarbonyl)benzoyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one [ACD/IUPAC Name]
1-[4-(1,4-Diazépan-1-ylcarbonyl)benzoyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphtyridin-7-one [French] [ACD/IUPAC Name]
1-[4-[(Hexahydro-1H-1,4-diazepin-1-yl)carbonyl]benzoyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one
1000815-31-5 [RN]
7H-Benzo[de][1,7]naphthyridin-7-one, 1-[4-[(hexahydro-1H-1,4-diazepin-1-yl)carbonyl]benzoyl]-1,2,3,8,9,9a-hexahydro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.3±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 327.4±3.0 cm3

Click to predict properties on the Chemicalize site


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