ChemSpider 2D Image | 4-[(Hexylcarbamoyl)(methyl)amino]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzenesulfonamide | C29H39N5O4S

4-[(Hexylcarbamoyl)(methyl)amino]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzenesulfonamide

  • Molecular FormulaC29H39N5O4S
  • Average mass553.716 Da
  • Monoisotopic mass553.272278 Da
  • ChemSpider ID23148980

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(Hexylcarbamoyl)(methyl)amino]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzenesulfonamide [ACD/IUPAC Name]
4-[(Hexylcarbamoyl)(méthyl)amino]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)éthyl]amino}éthyl)phényl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[(Hexylcarbamoyl)(methyl)amino]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[(hexylamino)carbonyl]methylamino]-N-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]- [ACD/Index Name]
1-Heptanoyl-2,3-dihydro-1H-indole-5-sulfonic acid phenylamide
3-hexyl-1-(4-{[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-yl)ethyl]amino}ethyl)phenyl]sulfamoyl}phenyl)-1-methylurea
CHEMBL293818
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL293818/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 40.68
ACD/KOC (pH 7.4): 234.80
Polar Surface Area: 132 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 448.3±3.0 cm3

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