ChemSpider 2D Image | N-{4-[3-{[Benzyl(methyl)amino]methyl}-7-(2,6-difluorobenzyl)-5-isobutyryl-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-2-yl]phenyl}-2-hydroxy-2-methylpropanamide | C37H37F2N3O4S

N-{4-[3-{[Benzyl(methyl)amino]methyl}-7-(2,6-difluorobenzyl)-5-isobutyryl-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-2-yl]phenyl}-2-hydroxy-2-methylpropanamide

  • Molecular FormulaC37H37F2N3O4S
  • Average mass657.769 Da
  • Monoisotopic mass657.247253 Da
  • ChemSpider ID9817935

More details:

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

N-{4-[3-{[Benzyl(methyl)amino]methyl}-7-(2,6-difluorbenzyl)-5-isobutyryl-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-2-yl]phenyl}-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
N-{4-[3-{[benzyl(methyl)amino]methyl}-7-(2,6-difluorobenzyl)-5-(2-methylpropanoyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-2-yl]phenyl}-2-hydroxy-2-methylpropanamide
N-{4-[3-{[Benzyl(methyl)amino]methyl}-7-(2,6-difluorobenzyl)-5-isobutyryl-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-2-yl]phenyl}-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
N-{4-[3-{[Benzyl(méthyl)amino]méthyl}-7-(2,6-difluorobenzyl)-5-isobutyryl-4-oxo-4,7-dihydrothiéno[2,3-b]pyridin-2-yl]phényl}-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[4-[7-[(2,6-difluorophenyl)methyl]-4,7-dihydro-5-(2-methyl-1-oxopropyl)-3-[[methyl(phenylmethyl)amino]methyl]-4-oxothieno[2,3-b]pyridin-2-yl]phenyl]-2-hydroxy-2-methyl- [ACD/Index Name]
3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-2-(4-(2-hydroxy-2-methylpropionylamido)phenyl)-5-isobutyryl-4-oxothieno[2,3-b]pyridine
CHEMBL212121

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 179.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 361.10
ACD/KOC (pH 5.5): 885.34
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8135.69
ACD/KOC (pH 7.4): 19947.13
Polar Surface Area: 118 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 502.2±3.0 cm3

Click to predict properties on the Chemicalize site


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