ChemSpider 2D Image | N-{(2S)-3-[(3S)-8',9'-Dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide | C29H40N4O5S

N-{(2S)-3-[(3S)-8',9'-Dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide

  • Molecular FormulaC29H40N4O5S
  • Average mass556.717 Da
  • Monoisotopic mass556.271912 Da
  • ChemSpider ID26328952

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(2S)-3-[(3S)-8',9'-dihydrospiro[piperidine-3,7'(3'H)-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl]-N-(2-ethoxyethyl)-2,6-dimethyl- [ACD/Index Name]
N-{(2S)-3-[(3S)-8',9'-Dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide [ACD/IUPAC Name]
SMR

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

Density: 1.3±0.1 g/cm3
Boiling Point: 760.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.6±35.7 °C
Index of Refraction: 1.647
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 6.69
ACD/KOC (pH 5.5): 20.30
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 191.49
ACD/KOC (pH 7.4): 580.82
Polar Surface Area: 116 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 419.0±5.0 cm3

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