ChemSpider 2D Image | DHA-clozapine | C40H49ClN4O

DHA-clozapine

  • Molecular FormulaC40H49ClN4O
  • Average mass637.296 Da
  • Monoisotopic mass636.359497 Da
  • ChemSpider ID8028044
  • Double-bond stereo - Double-bond stereo


More details:






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

(4Z,7Z,10Z,13Z,16Z,19Z)-1-[8-Chlor-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-4,7,10,13,16,19-docosahexaen-1-on [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-1-[8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-4,7,10,13,16,19-docosahexaen-1-one [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-1-[8-Chloro-11-(4-méthyl-1-pipérazinyl)-5H-dibenzo[b,e][1,4]diazépin-5-yl]-4,7,10,13,16,19-docosahexaén-1-one [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaen-1-one, 1-[8-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-5-yl]-, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
Clozaprexin
DHA-clozapine [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 765.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.6±35.7 °C
Index of Refraction: 1.566
Molar Refractivity: 196.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 4363.61
ACD/KOC (pH 5.5): 3376.94
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 362145.59
ACD/KOC (pH 7.4): 280259.47
Polar Surface Area: 39 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 603.1±7.0 cm3

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