ChemSpider 2D Image | 2-(3-Chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoic acid | C25H26ClN3O6

2-(3-Chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoic acid

  • Molecular FormulaC25H26ClN3O6
  • Average mass499.943 Da
  • Monoisotopic mass499.151001 Da
  • ChemSpider ID34245469
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-(3-Chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoic acid [ACD/IUPAC Name]
2-(3-Chlorophenoxy)-3-Methoxy-4-{[(3s)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)piperidin-1-Yl]methyl}benzoic Acid
2-(3-Chlorphenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoesäure [German] [ACD/IUPAC Name]
Acide 2-(3-chlorophénoxy)-3-méthoxy-4-{[(3S)-3-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pipéridinyl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(3-chlorophenoxy)-4-[[(3S)-3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-piperidinyl]methyl]-3-methoxy- [ACD/Index Name]
32K

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.13
Polar Surface Area: 108 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 366.4±3.0 cm3

Click to predict properties on the Chemicalize site






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