ChemSpider 2D Image | (1R,2R)-2-(4-Chlorobenzoyl)-N-[(3S)-1-(phenylsulfonyl)-3-heptanyl]cyclohexanecarboxamide | C27H34ClNO4S

(1R,2R)-2-(4-Chlorobenzoyl)-N-[(3S)-1-(phenylsulfonyl)-3-heptanyl]cyclohexanecarboxamide

  • Molecular FormulaC27H34ClNO4S
  • Average mass504.081 Da
  • Monoisotopic mass503.189697 Da
  • ChemSpider ID25057479

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R)-2-(4-Chlorbenzoyl)-N-[(3S)-1-(phenylsulfonyl)-3-heptanyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1R,2R)-2-(4-Chlorobenzoyl)-N-[(3S)-1-(phenylsulfonyl)-3-heptanyl]cyclohexanecarboxamide [ACD/IUPAC Name]
(1R,2R)-2-(4-Chlorobenzoyl)-N-[(3S)-1-(phénylsulfonyl)-3-heptanyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
(1r,2r)-2-[(4-Chlorophenyl)carbonyl]-N-{(1s)-1-[2-(Phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide
Cyclohexanecarboxamide, 2-(4-chlorobenzoyl)-N-[(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl]-, (1R,2R)- [ACD/Index 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: 724.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.1±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4897.19
ACD/KOC (pH 5.5): 15235.51
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4897.19
ACD/KOC (pH 7.4): 15235.51
Polar Surface Area: 89 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 421.1±3.0 cm3

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