ChemSpider 2D Image | (2S)-2-[4-(4-Fluorobenzyl)-1-piperazinyl]-N-hydroxy-3-[({4-[(2-methyl-4-quinolinyl)methoxy]phenyl}sulfonyl)amino]propanamide | C31H34FN5O5S

(2S)-2-[4-(4-Fluorobenzyl)-1-piperazinyl]-N-hydroxy-3-[({4-[(2-methyl-4-quinolinyl)methoxy]phenyl}sulfonyl)amino]propanamide

  • Molecular FormulaC31H34FN5O5S
  • Average mass607.696 Da
  • Monoisotopic mass607.226440 Da
  • ChemSpider ID58895558

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[4-(4-Fluorbenzyl)-1-piperazinyl]-N-hydroxy-3-[({4-[(2-methyl-4-chinolinyl)methoxy]phenyl}sulfonyl)amino]propanamid [German] [ACD/IUPAC Name]
(2S)-2-[4-(4-Fluorobenzyl)-1-pipérazinyl]-N-hydroxy-3-[({4-[(2-méthyl-4-quinoléinyl)méthoxy]phényl}sulfonyl)amino]propanamide [French] [ACD/IUPAC Name]
(2S)-2-[4-(4-Fluorobenzyl)-1-piperazinyl]-N-hydroxy-3-[({4-[(2-methyl-4-quinolinyl)methoxy]phenyl}sulfonyl)amino]propanamide [ACD/IUPAC Name]
1-Piperazineacetamide, 4-[(4-fluorophenyl)methyl]-N-hydroxy-α-[[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]sulfonyl]amino]methyl]-, (αS)- [ACD/Index Name]

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: 1.645
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 70.92
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 93.16
ACD/KOC (pH 7.4): 868.30
Polar Surface Area: 132 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 449.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement