ChemSpider 2D Image | {4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl}{4-[(pentamethylphenyl)sulfonyl]-1-piperazinyl}methanone | C29H32N4O5S2

{4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl}{4-[(pentamethylphenyl)sulfonyl]-1-piperazinyl}methanone

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID30634778

More details:

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

{4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl}{4-[(pentamethylphenyl)sulfonyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
{4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl}{4-[(pentamethylphenyl)sulfonyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
{4-[(1,1-Dioxydo-1,2-benzothiazol-3-yl)amino]phényl}{4-[(pentaméthylphényl)sulfonyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl][4-[(2,3,4,5,6-pentamethylphenyl)sulfonyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 806.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.5±37.1 °C
Index of Refraction: 1.669
Molar Refractivity: 156.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.47
ACD/KOC (pH 5.5): 2739.24
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 445.47
ACD/KOC (pH 7.4): 2739.24
Polar Surface Area: 133 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

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