ChemSpider 2D Image | 4-[4-({4'-Chloro-3-[2-(dimethylamino)ethoxy]-2-biphenylyl}methyl)-1-piperazinyl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide | C48H52ClN7O8S

4-[4-({4'-Chloro-3-[2-(dimethylamino)ethoxy]-2-biphenylyl}methyl)-1-piperazinyl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide

  • Molecular FormulaC48H52ClN7O8S
  • Average mass922.487 Da
  • Monoisotopic mass921.328674 Da
  • ChemSpider ID35033780

More details:






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

4-[4-({4'-Chlor-3-[2-(dimethylamino)ethoxy]-2-biphenylyl}methyl)-1-piperazinyl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamid [German] [ACD/IUPAC Name]
4-[4-({4'-Chloro-3-[2-(dimethylamino)ethoxy]-2-biphenylyl}methyl)-1-piperazinyl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide [ACD/IUPAC Name]
4-[4-({4'-Chloro-3-[2-(diméthylamino)éthoxy]-2-biphénylyl}méthyl)-1-pipérazinyl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tétrahydro-2H-pyran-4-ylméthyl)amino]phényl}sulfonyl)benzamide [French] [ACD/IUPAC Name]
4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide
Benzamide, 4-[4-[[4'-chloro-3-[2-(dimethylamino)ethoxy][1,1'-biphenyl]-2-yl]methyl]-1-piperazinyl]-2-(1H-indol-5-yloxy)-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 251.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 211.08
ACD/KOC (pH 5.5): 233.89
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 721.42
ACD/KOC (pH 7.4): 799.40
Polar Surface Area: 183 Å2
Polarizability: 99.5±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 686.9±3.0 cm3

Click to predict properties on the Chemicalize site






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