ChemSpider 2D Image | Methyl 2-{[({5-[(4-ethoxyphenyl)sulfonyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}sulfanyl)acetyl]amino}benzoate | C22H21N3O7S2

Methyl 2-{[({5-[(4-ethoxyphenyl)sulfonyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}sulfanyl)acetyl]amino}benzoate

  • Molecular FormulaC22H21N3O7S2
  • Average mass503.548 Da
  • Monoisotopic mass503.082092 Da
  • ChemSpider ID27320180

More details:

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

2-{[2-({5-[(4-Éthoxyphényl)sulfonyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}sulfanyl)acétyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[[5-[(4-ethoxyphenyl)sulfonyl]-1,6-dihydro-6-oxo-2-pyrimidinyl]thio]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-{[({5-[(4-ethoxyphenyl)sulfonyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}sulfanyl)acetyl]amino}benzoate [ACD/IUPAC Name]
Methyl-2-{[({5-[(4-ethoxyphenyl)sulfonyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}sulfanyl)acetyl]amino}benzoat [German] [ACD/IUPAC Name]
1223848-56-3 [RN]
2-{2-[5-(4-Ethoxy-benzenesulfonyl)-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl]-acetylamino}-benzoic acid methyl ester
methyl 2-(2-((5-((4-ethoxyphenyl)sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamido)benzoate
methyl 2-{[({5-[(4-ethoxyphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)acetyl]amino}benzoate
methyl 2-{[({5-[(4-ethoxyphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}thio)acetyl]amino}benzoate

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: 1.645
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 9.19
ACD/KOC (pH 5.5): 107.85
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.97
Polar Surface Area: 174 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 352.8±7.0 cm3

Click to predict properties on the Chemicalize site


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