ChemSpider 2D Image | N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-3-thienyl]thieno[2,3-d]pyrimidin-4-amine | C27H24ClFN4O3S3

N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-3-thienyl]thieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC27H24ClFN4O3S3
  • Average mass603.151 Da
  • Monoisotopic mass602.068298 Da
  • ChemSpider ID24696579

More details:

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

N-{3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-3-thienyl]thieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-3-thienyl]thieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}-6-[5-({[2-(méthylsulfonyl)éthyl]amino}méthyl)-3-thiényl]thiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4-amine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-3-thienyl]- [ACD/Index Name]
GSK300014A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL475599/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 783.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 427.4±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 562.52
ACD/KOC (pH 5.5): 1514.39
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7201.48
ACD/KOC (pH 7.4): 19387.67
Polar Surface Area: 158 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 416.8±3.0 cm3

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