ChemSpider 2D Image | 2-(3-Chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]propyl}benzoic acid | C27H30ClN3O6

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

  • Molecular FormulaC27H30ClN3O6
  • Average mass527.997 Da
  • Monoisotopic mass527.182312 Da
  • ChemSpider ID34246152

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 2.91
ACD/KOC (pH 5.5): 14.59
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 2.60
ACD/KOC (pH 7.4): 13.02
Polar Surface Area: 108 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

Click to predict properties on the Chemicalize site


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