ChemSpider 2D Image | 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE | C28H28N2O5S

4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE

  • Molecular FormulaC28H28N2O5S
  • Average mass504.597 Da
  • Monoisotopic mass504.171906 Da
  • ChemSpider ID20018517
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(S)-4-Cyano-N-(3-(Cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl)phenyl)benzenesulfonamide
(S)-4-Cyano-N-[3-[Cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta[b]pyran-3-yl)methyl]phenyl]benzenesulfonamide
4-Cyan-N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE
4-Cyano-N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)methyl]phenyl}benzenesulfonamide [ACD/IUPAC Name]
4-Cyano-N-{3-[(S)-cyclopropyl(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)méthyl]phényl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-cyano-N-[3-[(S)-cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta[b]pyran-3-yl)methyl]phenyl]- [ACD/Index Name]
(S)-4-CYANO-N-(3-(CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-2H-CYCLOOCTA[B] PYRAN-3-YL)METHYL)PHENYL)BENZENESULFONAMIDE
173140-87-9 [RN]
U-103,017

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

PNU 103265 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 721.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 390.0±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 229.85
ACD/KOC (pH 5.5): 859.64
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 6.72
Polar Surface Area: 125 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 360.8±5.0 cm3

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