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Search term: SQASBIAYFZQOMN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 6-chloro-3-[N''-cyano-N'-(2-methylphenyl)carbamimidamido]-N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pentan-3-yl}-2-hydroxybenzenesulfonamide | C26H35ClN6O4S

6-chloro-3-[N''-cyano-N'-(2-methylphenyl)carbamimidamido]-N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pentan-3-yl}-2-hydroxybenzenesulfonamide

  • Molecular FormulaC26H35ClN6O4S
  • Average mass563.112 Da
  • Monoisotopic mass562.212891 Da
  • ChemSpider ID23279221
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

6-Chlor-3-[(Z)-{(cyanamino)[(2-methylphenyl)amino]methylen}amino]-N-{3-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pentanyl}-2-hydroxybenzolsulfonamid [German] [ACD/IUPAC Name]
6-Chloro-3-[(Z)-{(cyanoamino)[(2-methylphenyl)amino]methylene}amino]-N-{3-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pentanyl}-2-hydroxybenzenesulfonamide [ACD/IUPAC Name]
6-Chloro-3-[(Z)-{(cyanoamino)[(2-méthylphényl)amino]méthylène}amino]-N-{3-[(2R,6S)-2,6-diméthyl-4-morpholinyl]-3-pentanyl}-2-hydroxybenzènesulfonamide [French] [ACD/IUPAC Name]
6-chloro-3-[N''-cyano-N'-(2-methylphenyl)carbamimidamido]-N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pentan-3-yl}-2-hydroxybenzenesulfonamide
Benzenesulfonamide, 6-chloro-3-[[(E)-(cyanoimino)[(2-methylphenyl)amino]methyl]amino]-N-[1-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-1-ethylpropyl]-2-hydroxy- [ACD/Index Name]
1-[4-chloro-3-({3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pentan-3-yl}sulfamoyl)-2-hydroxyphenyl]-2-cyano-3-(2-methylphenyl)guanidine
CHEMBL373522

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 654.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 349.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 149.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 3595.91
ACD/KOC (pH 5.5): 10529.45
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 133.69
ACD/KOC (pH 7.4): 391.45
Polar Surface Area: 147 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 425.8±7.0 cm3

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