ChemSpider 2D Image | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide | C43H45ClN8O4S2

(R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide

  • Molecular FormulaC43H45ClN8O4S2
  • Average mass837.452 Da
  • Monoisotopic mass836.269348 Da
  • ChemSpider ID26327637

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
Benzenesulfonamide, N-[7-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-4-quinazolinyl]-4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro- [ACD/Index Name]
N-(7-{4-[(4'-Chlor-2-biphenylyl)methyl]-1-piperazinyl}-4-chinazolinyl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
N-(7-{4-[(4'-Chloro-2-biphenylyl)methyl]-1-piperazinyl}-4-quinazolinyl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
N-(7-{4-[(4'-Chloro-2-biphénylyl)méthyl]-1-pipérazinyl}-4-quinazolinyl)-4-{[(2R)-4-(diméthylamino)-1-(phénylsulfanyl)-2-butanyl]amino}-3-nitrobenzènesulfonamide [French] [ACD/IUPAC 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: 964.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 537.3±37.1 °C
Index of Refraction: 1.724
Molar Refractivity: 234.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 904.21
ACD/KOC (pH 5.5): 584.45
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 3852.57
ACD/KOC (pH 7.4): 2490.17
Polar Surface Area: 173 Å2
Polarizability: 92.9±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 590.8±5.0 cm3

Click to predict properties on the Chemicalize site


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