ChemSpider 2D Image | (6Z)-6-[(6-{[(1R)-1-(4-Isopropyl-2-furyl)-2,2-dimethylpropyl]amino}-1,3-dihydro[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)imino]-2-(1-pyrrolidinylsulfonyl)-2,4-cyclohexadien-1-one | C26H33N7O5S

(6Z)-6-[(6-{[(1R)-1-(4-Isopropyl-2-furyl)-2,2-dimethylpropyl]amino}-1,3-dihydro[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)imino]-2-(1-pyrrolidinylsulfonyl)-2,4-cyclohexadien-1-one

  • Molecular FormulaC26H33N7O5S
  • Average mass555.649 Da
  • Monoisotopic mass555.226379 Da
  • ChemSpider ID13170986

  • 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

(6Z)-6-[(6-{[(1R)-1-(4-Isopropyl-2-furyl)-2,2-dimethylpropyl]amino}-1,3-dihydro[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)imino]-2-(1-pyrrolidinylsulfonyl)-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6Z)-6-[(6-{[(1R)-1-(4-Isopropyl-2-furyl)-2,2-dimethylpropyl]amino}-1,3-dihydro[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)imino]-2-(1-pyrrolidinylsulfonyl)-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6Z)-6-[(6-{[(1R)-1-(4-Isopropyl-2-furyl)-2,2-diméthylpropyl]amino}-1,3-dihydro[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)imino]-2-(1-pyrrolidinylsulfonyl)-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6-[[6-[[(1R)-2,2-dimethyl-1-[4-(1-methylethyl)-2-furanyl]propyl]amino]-1,3-dihydro[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]imino]-2-(1-pyrrolidinylsulfonyl)-, (6Z)- [ACD/Index 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: 680.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.4±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 241.54
ACD/KOC (pH 5.5): 1748.77
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.62
ACD/KOC (pH 7.4): 1814.51
Polar Surface Area: 159 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 378.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement