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Search term: KPCRDYQBHIBBCY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 4-[(Z)-({[4-(5-acetyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-methoxyphenoxy]acetyl}hydrazono)methyl]-3,5-difluorobenzoate | C25H24F2N4O6S

Methyl 4-[(Z)-({[4-(5-acetyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-methoxyphenoxy]acetyl}hydrazono)methyl]-3,5-difluorobenzoate

  • Molecular FormulaC25H24F2N4O6S
  • Average mass546.543 Da
  • Monoisotopic mass546.138489 Da
  • ChemSpider ID101367900

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(Z)-({2-[4-(5-Acétyl-6-méthyl-2-thioxo-1,2,3,4-tétrahydro-4-pyrimidinyl)-2-méthoxyphénoxy]acétyl}hydrazono)méthyl]-3,5-difluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(Z)-[2-[2-[4-(5-acetyl-1,2,3,4-tetrahydro-6-methyl-2-thioxo-4-pyrimidinyl)-2-methoxyphenoxy]acetyl]hydrazinylidene]methyl]-3,5-difluoro-, methyl ester [ACD/Index Name]
Methyl 4-[(Z)-({[4-(5-acetyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-methoxyphenoxy]acetyl}hydrazono)methyl]-3,5-difluorobenzoate [ACD/IUPAC Name]
Methyl-4-[(Z)-({[4-(5-acetyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-2-methoxyphenoxy]acetyl}hydrazono)methyl]-3,5-difluorbenzoat [German] [ACD/IUPAC Name]

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: 1.611
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.97
ACD/KOC (pH 5.5): 728.09
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.94
ACD/KOC (pH 7.4): 727.77
Polar Surface Area: 159 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 390.0±7.0 cm3

Click to predict properties on the Chemicalize site


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