ChemSpider 2D Image | psammaplysene A | C27H35Br4N3O3

psammaplysene A

  • Molecular FormulaC27H35Br4N3O3
  • Average mass769.201 Da
  • Monoisotopic mass764.941162 Da
  • ChemSpider ID9609076

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(2E)-N-(3-{2,6-Dibrom-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-3-{3,5-dibrom-4-[3-(dimethylamino)propoxy]phenyl}acrylamid [German] [ACD/IUPAC Name]
(2E)-N-(3-{2,6-Dibromo-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-3-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}acrylamide [ACD/IUPAC Name]
(2E)-N-(3-{2,6-Dibromo-4-[2-(diméthylamino)éthyl]phénoxy}propyl)-3-{3,5-dibromo-4-[3-(diméthylamino)propoxy]phényl}acrylamide [French] [ACD/IUPAC Name]
(2E)-N-(3-{2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-3-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}prop-2-enamide
2-Propenamide, N-[3-[2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy]propyl]-3-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]-, (2E)- [ACD/Index Name]
2-propenimidic acid, N-[3-[2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy]propyl]-3-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]-, (1Z,2E)-
850013-02-4 [RN]
psammaplysene A
(E)-N-[3-[2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy]propyl]-3-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]prop-2-enamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481437/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 762.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.6±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 4.97
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 12.60
ACD/KOC (pH 7.4): 22.41
Polar Surface Area: 54 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 489.4±3.0 cm3

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