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ChemSpider 2D Image | Pacritinib | C28H32N4O3


  • Molecular FormulaC28H32N4O3
  • Average mass472.579 Da
  • Monoisotopic mass472.247437 Da
  • ChemSpider ID28518965
  • Double-bond stereo - Double-bond stereo

More details:

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

((2E,16E)-11-[2-(pirrolidin-1-il)etoxi]-14,19-dioxa- 5,7,27-triazatetraciclo[,6.18,12]heptacosa1(25),2,4,6,8,10,12(26),16,21,23-decaeno [Spanish]
(16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaen [German] [ACD/IUPAC Name]
(16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene [ACD/IUPAC Name]
(16E)-11-[2-(1-Pyrrolidinyl)éthoxy]-14,19-dioxa-5,7,27-triazatétracyclo[,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-décaène [French] [ACD/IUPAC Name]
(16E)-11-[2-(pyrrolidin-1-yl)éthoxy]-14,19-dioxa-5,7,27-triazatétracyclo[,6.18,12]heptacosa-1(24),2,4,6,8,10,12(26),16,21(25),22-décaène [French]
14,19-Dioxa-5,7,27-triazatetracyclo[,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, 11-[2-(1-pyrrolidinyl)ethoxy]-, (16E)- [ACD/Index Name]
937272-79-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 711.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.0±35.7 °C
Index of Refraction: 1.574
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.39
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 5.25
ACD/KOC (pH 7.4): 28.13
Polar Surface Area: 69 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 409.7±3.0 cm3

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