ChemSpider 2D Image | Methyl (5R,6R,8E,9S)-7-(4-chlorophenyl)-8-[(4-chlorophenyl)imino]-4-ethyl-6-[(2S)-1-methoxy-1-oxo-2-propanyl]-3,9-dimethyl-1-thia-4,7-diazaspiro[4.4]non-2-ene-9-carboxylate | C28H31Cl2N3O4S

Methyl (5R,6R,8E,9S)-7-(4-chlorophenyl)-8-[(4-chlorophenyl)imino]-4-ethyl-6-[(2S)-1-methoxy-1-oxo-2-propanyl]-3,9-dimethyl-1-thia-4,7-diazaspiro[4.4]non-2-ene-9-carboxylate

  • Molecular FormulaC28H31Cl2N3O4S
  • Average mass576.534 Da
  • Monoisotopic mass575.141235 Da
  • ChemSpider ID30658874

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,6R,8E,9S)-7-(4-Chlorophényl)-8-[(4-chlorophényl)imino]-4-éthyl-6-[(2S)-1-méthoxy-1-oxo-2-propanyl]-3,9-diméthyl-1-thia-4,7-diazaspiro[4.4]non-2-ène-9-carboxylate de méthyle [French] [ACD/IUPAC Name]
1-Thia-4,7-diazaspiro[4.4]non-2-ene-6-acetic acid, 7-(4-chlorophenyl)-8-[(4-chlorophenyl)imino]-4-ethyl-9-(methoxycarbonyl)-α,3,9-trimethyl-, methyl ester, (αS,5R,6R,8E,9S)- [ACD/Index Name]
Methyl (5R,6R,8E,9S)-7-(4-chlorophenyl)-8-[(4-chlorophenyl)imino]-4-ethyl-6-[(2S)-1-methoxy-1-oxo-2-propanyl]-3,9-dimethyl-1-thia-4,7-diazaspiro[4.4]non-2-ene-9-carboxylate [ACD/IUPAC Name]
Methyl-(5R,6R,8E,9S)-7-(4-chlorphenyl)-8-[(4-chlorphenyl)imino]-4-ethyl-6-[(2S)-1-methoxy-1-oxo-2-propanyl]-3,9-dimethyl-1-thia-4,7-diazaspiro[4.4]non-2-en-9-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.2±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 153.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.41
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: 97 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 441.1±7.0 cm3

Click to predict properties on the Chemicalize site


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