Found 1 result

Search term: HFCBNESMBVZUHP-URLMMPGGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(2R,6S)-1-[(4-Chlorophenyl)sulfonyl]-6-(3,5-difluorophenyl)-2-piperidinyl]cyclopropyl 1,4'-bipiperidine-1'-carboxylate | C31H38ClF2N3O4S

1-[(2R,6S)-1-[(4-Chlorophenyl)sulfonyl]-6-(3,5-difluorophenyl)-2-piperidinyl]cyclopropyl 1,4'-bipiperidine-1'-carboxylate

  • Molecular FormulaC31H38ClF2N3O4S
  • Average mass622.166 Da
  • Monoisotopic mass621.223938 Da
  • ChemSpider ID9529008

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1,4'-Bipiperidine]-1'-carboxylic acid, 1-[(2R,6S)-1-[(4-chlorophenyl)sulfonyl]-6-(3,5-difluorophenyl)-2-piperidinyl]cyclopropyl ester [ACD/Index Name]
1,4'-Bipipéridine-1'-carboxylate de 1-[(2R,6S)-1-[(4-chlorophényl)sulfonyl]-6-(3,5-difluorophényl)-2-pipéridinyl]cyclopropyle [French] [ACD/IUPAC Name]
1-[(2R,6S)-1-[(4-Chlorophenyl)sulfonyl]-6-(3,5-difluorophenyl)-2-piperidinyl]cyclopropyl 1,4'-bipiperidine-1'-carboxylate [ACD/IUPAC Name]
1-[(2R,6S)-1-[(4-chlorophenyl)sulfonyl]-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl 1,4'-bipiperidine-1'-carboxylate
1-[(2R,6S)-1-[(4-Chlorphenyl)sulfonyl]-6-(3,5-difluorphenyl)-2-piperidinyl]cyclopropyl-1,4'-bipiperidin-1'-carboxylat [German] [ACD/IUPAC Name]
1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-difluorophenyl)piperidin-2-yl)cyclopropyl 4-(piperidin-1-yl)piperidine-1-carboxylate
CHEMBL240055

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 158.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 35.07
ACD/KOC (pH 5.5): 63.39
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 709.97
ACD/KOC (pH 7.4): 1283.35
Polar Surface Area: 79 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 446.1±5.0 cm3

Click to predict properties on the Chemicalize site


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