ChemSpider 2D Image | N-(2-{3-[(4-Benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinesulfonamide | C27H32N6O4S

N-(2-{3-[(4-Benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinesulfonamide

  • Molecular FormulaC27H32N6O4S
  • Average mass536.646 Da
  • Monoisotopic mass536.220581 Da
  • ChemSpider ID44221012

More details:

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

6-Quinolinesulfonamide, 1,2,3,4-tetrahydro-N-methyl-2-oxo-N-[2-oxo-2-[3-[[4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-1-piperidinyl]ethyl]- [ACD/Index Name]
N-(2-{3-[(4-Benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydro-6-chinolinsulfonamid [German] [ACD/IUPAC Name]
N-(2-{3-[(4-Benzyl-4H-1,2,4-triazol-3-yl)méthyl]-1-pipéridinyl}-2-oxoéthyl)-N-méthyl-2-oxo-1,2,3,4-tétrahydro-6-quinoléinesulfonamide [French] [ACD/IUPAC Name]
N-(2-{3-[(4-Benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinesulfonamide [ACD/IUPAC Name]
N-(2-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-2-oxoethyl)-N-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.33
ACD/KOC (pH 5.5): 589.82
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.81
ACD/KOC (pH 7.4): 595.28
Polar Surface Area: 126 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 384.5±7.0 cm3

Click to predict properties on the Chemicalize site


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