ChemSpider 2D Image | 2-[2-Chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy]-N-[2-[[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]acetamide | C26H30ClN5O5

2-[2-Chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy]-N-[2-[[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]acetamide

  • Molecular FormulaC26H30ClN5O5
  • Average mass528.000 Da
  • Monoisotopic mass527.193542 Da
  • ChemSpider ID178464
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

149998-19-6 [RN]
2-[2-Chlor-4-(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenoxy]-N-(2-{[(2S)-3-(2-cyanphenoxy)-2-hydroxypropyl]amino}-2-methylpropyl)acetamid [German] [ACD/IUPAC Name]
2-[2-Chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy]-N-[2-[[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]acetamide
2-[2-Chloro-4-(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenoxy]-N-(2-{[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino}-2-methylpropyl)acetamide [ACD/IUPAC Name]
2-[2-Chloro-4-(6-oxo-1,4,5,6-tétrahydro-3-pyridazinyl)phénoxy]-N-(2-{[(2S)-3-(2-cyanophénoxy)-2-hydroxypropyl]amino}-2-méthylpropyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy]-N-[2-[[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]- [ACD/Index Name]
6-(4-(N-(2-(3-(2-CYANOPHENOXY)-2-HYDROXYPROPYLAMINO)-2-METHYLPROPYL)CARBAMOYLMETHOXY-3- CHLOROPHENYL))-4,5-DIHYDRO- 3(2H)-PYRIDAZINONE
Acetamide, 2-(2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy)-N-(2-((3-(2-cyanophenoxy)-2-hydroxypropyl)amino)-2-methylpropyl)-, (S)-
gi104313

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

Gl 104313 [DBID]
Gl-104313 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 27.26
Polar Surface Area: 145 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 398.4±7.0 cm3

Click to predict properties on the Chemicalize site






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