ChemSpider 2D Image | (2E)-5-{4-[(3-Bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(dimethylamino)propyl]-4-oxo-2-hexenamide | C24H27BrN6O2

(2E)-5-{4-[(3-Bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(dimethylamino)propyl]-4-oxo-2-hexenamide

  • Molecular FormulaC24H27BrN6O2
  • Average mass511.414 Da
  • Monoisotopic mass510.137878 Da
  • ChemSpider ID23334912

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-{4-[(3-Bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(dimethylamino)propyl]-4-oxo-2-hexenamide [ACD/IUPAC Name]
(2E)-5-{4-[(3-Bromophényl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(diméthylamino)propyl]-4-oxo-2-hexénamide [French] [ACD/IUPAC Name]
(2E)-5-{4-[(3-Bromphenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(dimethylamino)propyl]-4-oxo-2-hexenamid [German] [ACD/IUPAC Name]
2-Hexenamide, 5-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-N-[3-(dimethylamino)propyl]-4-oxo-, (2E)- [ACD/Index Name]
(2E)-5-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-[3-(dimethylamino)propyl]-4-oxohex-2-enamide
5-(4-(3-bromophenylamino)pyrido[3,4-d]pyrimidin-6-yl)-N-(3-(dimethylamino)propyl)-4-oxohex-2-enamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460894/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 369.9±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 22.66
Polar Surface Area: 100 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 371.5±3.0 cm3

Click to predict properties on the Chemicalize site


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