ChemSpider 2D Image | N-{1-[(2-{[(5-Chloro-2-thienyl)sulfonyl](ethyl)amino}ethyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}-2,6-dimethoxybenzamide | C22H30ClN3O6S3

N-{1-[(2-{[(5-Chloro-2-thienyl)sulfonyl](ethyl)amino}ethyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}-2,6-dimethoxybenzamide

  • Molecular FormulaC22H30ClN3O6S3
  • Average mass564.138 Da
  • Monoisotopic mass563.098511 Da
  • ChemSpider ID120966646

More details:

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

Benzamide, N-[1-[[[2-[[(5-chloro-2-thienyl)sulfonyl]ethylamino]ethyl]amino]carbonyl]-3-(methylthio)propyl]-2,6-dimethoxy- [ACD/Index Name]
N-{1-[(2-{[(5-Chlor-2-thienyl)sulfonyl](ethyl)amino}ethyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}-2,6-dimethoxybenzamid [German] [ACD/IUPAC Name]
N-{1-[(2-{[(5-Chloro-2-thienyl)sulfonyl](ethyl)amino}ethyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}-2,6-dimethoxybenzamide [ACD/IUPAC Name]
N-{1-[(2-{[(5-Chloro-2-thiényl)sulfonyl](éthyl)amino}éthyl)amino]-4-(méthylsulfanyl)-1-oxo-2-butanyl}-2,6-diméthoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.11
ACD/KOC (pH 5.5): 1685.87
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.10
ACD/KOC (pH 7.4): 1685.86
Polar Surface Area: 176 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

Click to predict properties on the Chemicalize site


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