ChemSpider 2D Image | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | C36H30N4O5S3

3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE

  • Molecular FormulaC36H30N4O5S3
  • Average mass694.842 Da
  • Monoisotopic mass694.137817 Da
  • ChemSpider ID3572051

More details:






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

3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Benzamide, N-[[3-nitro-4-[[2-(phenylthio)ethyl]amino]phenyl]sulfonyl]-4-[2-(2-phenylethyl)-5-benzothiazolyl]- [ACD/Index Name]
N-[(3-Nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]-4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzamid [German] [ACD/IUPAC Name]
N-[(3-Nitro-4-{[2-(phenylsulfanyl)ethyl]amino}phenyl)sulfonyl]-4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzamide [ACD/IUPAC Name]
N-[(3-Nitro-4-{[2-(phénylsulfanyl)éthyl]amino}phényl)sulfonyl]-4-[2-(2-phényléthyl)-1,3-benzothiazol-5-yl]benzamide [French] [ACD/IUPAC Name]
43B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.738
Molar Refractivity: 192.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.65
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 66590.67
ACD/KOC (pH 5.5): 40881.78
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 15459.30
ACD/KOC (pH 7.4): 9490.88
Polar Surface Area: 196 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 478.2±5.0 cm3

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