ChemSpider 2D Image | 6-Chloro-N-[(2S)-3-(1,1-dioxido-4-thiomorpholinyl)-3-oxo-2-({[1-(4-pyridinyl)-4-piperidinyl]methyl}amino)propyl]-2-naphthalenesulfonamide | C28H34ClN5O5S2

6-Chloro-N-[(2S)-3-(1,1-dioxido-4-thiomorpholinyl)-3-oxo-2-({[1-(4-pyridinyl)-4-piperidinyl]methyl}amino)propyl]-2-naphthalenesulfonamide

  • Molecular FormulaC28H34ClN5O5S2
  • Average mass620.183 Da
  • Monoisotopic mass619.169006 Da
  • ChemSpider ID393723

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Naphthalenesulfonamide, 6-chloro-N-[(2S)-3-(1,1-dioxido-4-thiomorpholinyl)-3-oxo-2-[[[1-(4-pyridinyl)-4-piperidinyl]methyl]amino]propyl]- [ACD/Index Name]
4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE
6-Chlor-N-[(2S)-3-(1,1-dioxido-4-thiomorpholinyl)-3-oxo-2-({[1-(4-pyridinyl)-4-piperidinyl]methyl}amino)propyl]-2-naphthalinsulfonamid [German] [ACD/IUPAC Name]
6-Chloro-N-[(2S)-3-(1,1-dioxido-4-thiomorpholinyl)-3-oxo-2-({[1-(4-pyridinyl)-4-piperidinyl]methyl}amino)propyl]-2-naphthalenesulfonamide [ACD/IUPAC Name]
6-Chloro-N-[(2S)-3-(1,1-dioxydo-4-thiomorpholinyl)-3-oxo-2-({[1-(4-pyridinyl)-4-pipéridinyl]méthyl}amino)propyl]-2-naphtalènesulfonamide [French] [ACD/IUPAC Name]
XMB

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

Density: 1.4±0.1 g/cm3
Boiling Point: 888.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 491.4±37.1 °C
Index of Refraction: 1.633
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 449.5±3.0 cm3

Click to predict properties on the Chemicalize site


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