ChemSpider 2D Image | 4-(5-{(E)-[(5R)-6-(Ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)-1-methylpiperazin-1-ium | C27H31N4O5S

4-(5-{(E)-[(5R)-6-(Ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)-1-methylpiperazin-1-ium

  • Molecular FormulaC27H31N4O5S
  • Average mass523.623 Da
  • Monoisotopic mass523.200989 Da
  • ChemSpider ID1406087

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(5-{(E)-[(5R)-6-(Ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl}-2-furyl)-1-methylpiperazin-1-ium [German] [ACD/IUPAC Name]
4-(5-{(E)-[(5R)-6-(Ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)-1-methylpiperazin-1-ium [ACD/IUPAC Name]
4-(5-{(E)-[(5R)-6-(Éthoxycarbonyl)-5-(3-méthoxyphényl)-7-méthyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidène]méthyl}-2-furyl)-1-méthylpipérazin-1-ium [French] [ACD/IUPAC Name]
Piperazinium, 4-[5-[(E)-[(5R)-6-(ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl]-2-furanyl]-1-methyl- [ACD/Index Name]

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

ZINC08399815 [DBID]

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

Density:
Boiling Point: 661.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 18.13
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 89.08
ACD/KOC (pH 7.4): 704.56
Polar Surface Area: 114 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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