ChemSpider 2D Image | 4-{4-[(4'-Chloro-2-biphenylyl)methyl]-1-piperazinyl}-N-[(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)sulfonyl]-2-[3-(4-morpholinyl)phenoxy]benzamide | C45H50ClN7O7S

4-{4-[(4'-Chloro-2-biphenylyl)methyl]-1-piperazinyl}-N-[(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)sulfonyl]-2-[3-(4-morpholinyl)phenoxy]benzamide

  • Molecular FormulaC45H50ClN7O7S
  • Average mass868.439 Da
  • Monoisotopic mass867.318115 Da
  • ChemSpider ID58956578

More details:

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

4-{4-[(4'-Chlor-2-biphenylyl)methyl]-1-piperazinyl}-N-[(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)sulfonyl]-2-[3-(4-morpholinyl)phenoxy]benzamid [German] [ACD/IUPAC Name]
4-{4-[(4'-Chloro-2-biphenylyl)methyl]-1-piperazinyl}-N-[(4-{[3-(dimethylamino)propyl]amino}-3-nitrophenyl)sulfonyl]-2-[3-(4-morpholinyl)phenoxy]benzamide [ACD/IUPAC Name]
4-{4-[(4'-Chloro-2-biphénylyl)méthyl]-1-pipérazinyl}-N-[(4-{[3-(diméthylamino)propyl]amino}-3-nitrophényl)sulfonyl]-2-[3-(4-morpholinyl)phénoxy]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[3-(dimethylamino)propyl]amino]-3-nitrophenyl]sulfonyl]-2-[3-(4-morpholinyl)phenoxy]- [ACD/Index 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: 1.641
Molar Refractivity: 237.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 100.65
ACD/KOC (pH 5.5): 133.71
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 306.54
ACD/KOC (pH 7.4): 407.23
Polar Surface Area: 161 Å2
Polarizability: 94.0±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 656.8±3.0 cm3

Click to predict properties on the Chemicalize site


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