ChemSpider 2D Image | 4-[(4-{(E)-[1-(4-Isopropylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid | C29H26N2O7

4-[(4-{(E)-[1-(4-Isopropylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

  • Molecular FormulaC29H26N2O7
  • Average mass514.526 Da
  • Monoisotopic mass514.174011 Da
  • ChemSpider ID22933554

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(4-{(E)-[1-(4-Isopropylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-2-methoxyphenoxy)methyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(4-{(E)-[1-(4-Isopropylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(4-{(E)-[1-(4-isopropylphényl)-2,4,6-trioxotétrahydro-5(2H)-pyrimidinylidène]méthyl}-2-méthoxyphénoxy)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-methoxy-4-[(E)-[tetrahydro-1-[4-(1-methylethyl)phenyl]-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]phenoxy]methyl]- [ACD/Index Name]
4-[[2-METHOXY-4-[(E)-[2,4,6-TRIOXO-1-(4-PROPAN-2-YLPHENYL)-1,3-DIAZINAN-5-YLIDENE]METHYL]PHENOXY]METHYL]BENZOIC ACID

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: 1.644
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 45.24
ACD/KOC (pH 5.5): 218.93
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 122 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 386.3±3.0 cm3

Click to predict properties on the Chemicalize site


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