ChemSpider 2D Image | 1,1'-[{5-[(7-Chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2-oxo-3,6-cyclohexadiene-1,3-diyl}bis(methylene)]dipyrrolidinium | C29H34ClN5O2

1,1'-[{5-[(7-Chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2-oxo-3,6-cyclohexadiene-1,3-diyl}bis(methylene)]dipyrrolidinium

  • Molecular FormulaC29H34ClN5O2
  • Average mass520.065 Da
  • Monoisotopic mass519.239014 Da
  • ChemSpider ID5417572

  • Charge - Charge

More details:

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

1,1'-({5-[(7-Chlor-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2-oxo-3,6-cyclohexadien-1,3-diyl}dimethylen)dipyrrolidinium [German] [ACD/IUPAC Name]
1,1'-({5-[(7-Chloro-2-méthoxy-1,5-dihydrobenzo[b][1,5]naphtyridin-10-yl)imino]-2-oxo-3,6-cyclohexadiène-1,3-diyl}diméthylène)dipyrrolidinium [French] [ACD/IUPAC Name]
1,1'-[{5-[(7-Chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2-oxo-3,6-cyclohexadiene-1,3-diyl}bis(methylene)]dipyrrolidinium [ACD/IUPAC Name]
Pyrrolidinium, 1,1'-[[5-[(7-chloro-1,5-dihydro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)imino]-2-oxo-3,6-cyclohexadiene-1,3-diyl]bis(methylene)]bis- [ACD/Index Name]

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

ZINC03882897 [DBID]

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

Density:
Boiling Point: 657.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.3±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 69.81
ACD/KOC (pH 7.4): 318.05
Polar Surface Area: 72 Å2
Polarizability:
Surface Tension:
Molar Volume:

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