ChemSpider 2D Image | (6Z)-6-{[2,5-Dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylene}-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | C23H24N6O5S2

(6Z)-6-{[2,5-Dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylene}-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

  • Molecular FormulaC23H24N6O5S2
  • Average mass528.604 Da
  • Monoisotopic mass528.124939 Da
  • ChemSpider ID22956102

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-{[2,5-Dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylen}-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-{[2,5-Dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylene}-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-{[2,5-Diméthyl-1-(2-méthyl-5-nitrophényl)-1H-pyrrol-3-yl]méthylène}-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,2,4-Thiadiazolo[4,5-a]pyrimidin-7-one, 6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-3-[(2-methylpropyl)sulfonyl]-, (6Z)- [ACD/Index Name]
6-[2,5-Dimethyl-1-(2-methyl-5-nitro-phenyl)-1H-pyrrol-3-ylmethylene]-5-imino-3-(2-methyl-propane-1-sulfonyl)-5,6-dihydro-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 682.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 137.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.69
ACD/KOC (pH 5.5): 1175.91
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.69
ACD/KOC (pH 7.4): 1175.91
Polar Surface Area: 187 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 349.2±7.0 cm3

Click to predict properties on the Chemicalize site


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