ChemSpider 2D Image | Methyl N-cyclohexyl-N-[(1-{[4-(1H-tetrazol-1-yl)phenyl]sulfonyl}-4-piperidinyl)carbonyl]-beta-alaninate | C23H32N6O5S

Methyl N-cyclohexyl-N-[(1-{[4-(1H-tetrazol-1-yl)phenyl]sulfonyl}-4-piperidinyl)carbonyl]-β-alaninate

  • Molecular FormulaC23H32N6O5S
  • Average mass504.602 Da
  • Monoisotopic mass504.215485 Da
  • ChemSpider ID2467119

More details:

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

Methyl N-cyclohexyl-N-[(1-{[4-(1H-tetrazol-1-yl)phenyl]sulfonyl}-4-piperidinyl)carbonyl]-β-alaninate [ACD/IUPAC Name]
Methyl-N-cyclohexyl-N-[(1-{[4-(1H-tetrazol-1-yl)phenyl]sulfonyl}-4-piperidinyl)carbonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-Cyclohexyl-N-[(1-{[4-(1H-tétrazol-1-yl)phényl]sulfonyl}-4-pipéridinyl)carbonyl]-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-cyclohexyl-N-[[1-[[4-(1H-tetrazol-1-yl)phenyl]sulfonyl]-4-piperidinyl]carbonyl]-, methyl ester [ACD/Index Name]

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

ASN 05990820 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 377.0±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.07
ACD/KOC (pH 5.5): 194.49
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.07
ACD/KOC (pH 7.4): 194.49
Polar Surface Area: 136 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 355.3±7.0 cm3

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