ChemSpider 2D Image | 1'-[(2S)-3-{[(2,6-Dimethylphenyl)sulfonyl](2-ethoxyethyl)amino}-2-hydroxypropyl]-3,4-dihydrospiro[chromene-2,3'-piperidine]-6-carboxamide | C29H41N3O6S

1'-[(2S)-3-{[(2,6-Dimethylphenyl)sulfonyl](2-ethoxyethyl)amino}-2-hydroxypropyl]-3,4-dihydrospiro[chromene-2,3'-piperidine]-6-carboxamide

  • Molecular FormulaC29H41N3O6S
  • Average mass559.717 Da
  • Monoisotopic mass559.271606 Da
  • ChemSpider ID26346774

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1'-[(2S)-3-{[(2,6-Dimethylphenyl)sulfonyl](2-ethoxyethyl)amino}-2-hydroxypropyl]-3,4-dihydrospiro[chromene-2,3'-piperidine]-6-carboxamid [German] [ACD/IUPAC Name]
1'-[(2S)-3-{[(2,6-Dimethylphenyl)sulfonyl](2-ethoxyethyl)amino}-2-hydroxypropyl]-3,4-dihydrospiro[chromene-2,3'-piperidine]-6-carboxamide [ACD/IUPAC Name]
1'-[(2S)-3-{[(2,6-Diméthylphényl)sulfonyl](2-éthoxyéthyl)amino}-2-hydroxypropyl]-3,4-dihydrospiro[chromene-2,3'-piperidine]-6-carboxamide [French] [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-2,3'-piperidine]-6-carboxamide, 1'-[(2S)-3-[[(2,6-dimethylphenyl)sulfonyl](2-ethoxyethyl)amino]-2-hydroxypropyl]-3,4-dihydro- [ACD/Index 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: 737.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.7±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 2.86
ACD/KOC (pH 5.5): 11.38
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 94.48
ACD/KOC (pH 7.4): 375.90
Polar Surface Area: 131 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 429.4±5.0 cm3

Click to predict properties on the Chemicalize site


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