Found 1 result

Search term: HYOKWKXYBOKTDO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{[(3S)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]sulfonyl}-2-(3-methylphenoxy)benzoic acid | C24H25N3O7S

4-{[(3S)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]sulfonyl}-2-(3-methylphenoxy)benzoic acid

  • Molecular FormulaC24H25N3O7S
  • Average mass499.536 Da
  • Monoisotopic mass499.141327 Da
  • ChemSpider ID29418651

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(3S)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]sulfonyl}-2-(3-methylphenoxy)benzoesäure [German] [ACD/IUPAC Name]
4-{[(3S)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]sulfonyl}-2-(3-methylphenoxy)benzoic acid [ACD/IUPAC Name]
4-{[(3s)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)piperidin-1-Yl]sulfonyl}-2-(3-Methylphenoxy)benzoic Acid
Acide 4-{[(3S)-3-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pipéridinyl]sulfonyl}-2-(3-méthylphénoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(3S)-3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-piperidinyl]sulfonyl]-2-(3-methylphenoxy)- [ACD/Index Name]
T05

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 355.6±3.0 cm3

Click to predict properties on the Chemicalize site


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