ChemSpider 2D Image | Methyl (5S,6Z)-8-isobutyl-1,3,4-triphenyl-6-(phenylimino)-7-thia-1,2,4-triazaspiro[4.4]nona-2,8-diene-9-carboxylate | C35H32N4O2S

Methyl (5S,6Z)-8-isobutyl-1,3,4-triphenyl-6-(phenylimino)-7-thia-1,2,4-triazaspiro[4.4]nona-2,8-diene-9-carboxylate

  • Molecular FormulaC35H32N4O2S
  • Average mass572.719 Da
  • Monoisotopic mass572.224609 Da
  • ChemSpider ID30658915

  • 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

(5S,6Z)-8-Isobutyl-1,3,4-triphényl-6-(phénylimino)-7-thia-1,2,4-triazaspiro[4.4]nona-2,8-diène-9-carboxylate de méthyle [French] [ACD/IUPAC Name]
7-Thia-1,2,4-triazaspiro[4.4]nona-2,8-diene-9-carboxylic acid, 8-(2-methylpropyl)-1,3,4-triphenyl-6-(phenylimino)-, methyl ester, (5S,6Z)- [ACD/Index Name]
Methyl (5S,6Z)-8-isobutyl-1,3,4-triphenyl-6-(phenylimino)-7-thia-1,2,4-triazaspiro[4.4]nona-2,8-diene-9-carboxylate [ACD/IUPAC Name]
Methyl-(5S,6Z)-8-isobutyl-1,3,4-triphenyl-6-(phenylimino)-7-thia-1,2,4-triazaspiro[4.4]nona-2,8-dien-9-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.1±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 172.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.16
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 83 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 476.0±7.0 cm3

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