Found 1 result

Search term: CNKIRALQQHARGB-XMMPIXPASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(R)-(2-Chlorophenyl){7-[4-(2-hydroxy-2-propanyl)-2-pyridinyl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide | C26H25ClN2O3S2

N-[(R)-(2-Chlorophenyl){7-[4-(2-hydroxy-2-propanyl)-2-pyridinyl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide

  • Molecular FormulaC26H25ClN2O3S2
  • Average mass513.071 Da
  • Monoisotopic mass512.099487 Da
  • ChemSpider ID35034997

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Cyclopropanesulfonamide, N-[(R)-(2-chlorophenyl)[7-[4-(1-hydroxy-1-methylethyl)-2-pyridinyl]benzo[b]thien-2-yl]methyl]- [ACD/Index Name]
N-[(R)-(2-Chlorophenyl){7-[4-(2-hydroxy-2-propanyl)-2-pyridinyl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide [ACD/IUPAC Name]
N-[(R)-(2-Chlorophényl){7-[4-(2-hydroxy-2-propanyl)-2-pyridinyl]-1-benzothiophén-2-yl}méthyl]cyclopropanesulfonamide [French] [ACD/IUPAC Name]
N-[(R)-(2-Chlorophenyl){7-[4-(2-Hydroxypropan-2-Yl)pyridin-2-Yl]-1-Benzothiophen-2-Yl}methyl]cyclopropanesulfonamide
N-[(R)-(2-Chlorphenyl){7-[4-(2-hydroxy-2-propanyl)-2-pyridinyl]-1-benzothiophen-2-yl}methyl]cyclopropansulfonamid [German] [ACD/IUPAC Name]
2Y6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 728.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 394.1±35.7 °C
Index of Refraction: 1.706
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5678.83
ACD/KOC (pH 5.5): 16708.38
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5777.81
ACD/KOC (pH 7.4): 16999.58
Polar Surface Area: 116 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 356.7±5.0 cm3

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