ChemSpider 2D Image | 3-[(4S)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]-N-{26-[({4-[(4R)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]phenyl}sulfonyl)amino]-10,17-dioxo-3,6,21,24-tetraoxa-9,11,1 6,18-tetraazahexacos-1-yl}benzenesulfonamide | C50H66Cl4N8O10S2

3-[(4S)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]-N-{26-[({4-[(4R)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]phenyl}sulfonyl)amino]-10,17-dioxo-3,6,21,24-tetraoxa-9,11,1 6,18-tetraazahexacos-1-yl}benzenesulfonamide

  • Molecular FormulaC50H66Cl4N8O10S2
  • Average mass1145.049 Da
  • Monoisotopic mass1142.309692 Da
  • ChemSpider ID88301578

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(4S)-6,8-Dichlor-2-methyl-1,2,3,4-tetrahydro-4-isochinolinyl]-N-{26-[({4-[(4R)-6,8-dichlor-2-methyl-1,2,3,4-tetrahydro-4-isochinolinyl]phenyl}sulfonyl)amino]-10,17-dioxo-3,6,21,24-tetraoxa-9,11,16, 18-tetraazahexacos-1-yl}benzolsulfonamid [German] [ACD/IUPAC Name]
3-[(4S)-6,8-Dichloro-2-méthyl-1,2,3,4-tétrahydro-4-isoquinoléinyl]-N-{26-[({4-[(4R)-6,8-dichloro-2-méthyl-1,2,3,4-tétrahydro-4-isoquinoléinyl]phényl}sulfonyl)amino]-10,17-dioxo-3,6,21,24-tétraoxa-9,11 ,16,18-tétraazahexacos-1-yl}benzènesulfonamide [French] [ACD/IUPAC Name]
3-[(4S)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]-N-{26-[({4-[(4R)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]phenyl}sulfonyl)amino]-10,17-dioxo-3,6,21,24-tetraoxa-9,11,1 6,18-tetraazahexacos-1-yl}benzenesulfonamide [ACD/IUPAC Name]
Benzenesulfonamide, 3-[(4S)-6,8-dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl]-N-[26-[[[4-[(4R)-6,8-dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl]phenyl]sulfonyl]amino]-10,17-dioxo-3,6,2 1,24-tetraoxa-9,11,16,18-tetraazahexacos-1-yl]- [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: 1.590
Molar Refractivity: 291.0±0.4 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 157.37
ACD/KOC (pH 5.5): 320.16
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 18507.56
ACD/KOC (pH 7.4): 37651.67
Polar Surface Area: 235 Å2
Polarizability: 115.3±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 862.5±3.0 cm3

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