ChemSpider 2D Image | Methyl 4-(3-methoxy-4-{2-[(2Z)-2-{4-[(4-nitro-1H-pyrazol-1-yl)methoxy]benzylidene}hydrazino]-2-oxoethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H27N7O8S

Methyl 4-(3-methoxy-4-{2-[(2Z)-2-{4-[(4-nitro-1H-pyrazol-1-yl)methoxy]benzylidene}hydrazino]-2-oxoethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC27H27N7O8S
  • Average mass609.610 Da
  • Monoisotopic mass609.164185 Da
  • ChemSpider ID101370511

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(3-Méthoxy-4-{2-[(2Z)-2-{4-[(4-nitro-1H-pyrazol-1-yl)méthoxy]benzylidène}hydrazino]-2-oxoéthoxy}phényl)-6-méthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-[3-methoxy-4-[2-[(2Z)-2-[[4-[(4-nitro-1H-pyrazol-1-yl)methoxy]phenyl]methylene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-thioxo-, methyl ester [ACD/Index Name]
Methyl 4-(3-methoxy-4-{2-[(2Z)-2-{4-[(4-nitro-1H-pyrazol-1-yl)methoxy]benzylidene}hydrazino]-2-oxoethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-4-(3-methoxy-4-{2-[(2Z)-2-{4-[(4-nitro-1H-pyrazol-1-yl)methoxy]benzyliden}hydrazino]-2-oxoethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 155.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.94
ACD/KOC (pH 5.5): 720.39
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.92
ACD/KOC (pH 7.4): 720.21
Polar Surface Area: 215 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 418.5±7.0 cm3

Click to predict properties on the Chemicalize site


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