ChemSpider 2D Image | 2-Chloro-N-[2-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)ethyl]-4-[(2-{[(2R)-1-hydroxy-3-methyl-2-butanyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzamide | C34H42ClN9O4S

2-Chloro-N-[2-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)ethyl]-4-[(2-{[(2R)-1-hydroxy-3-methyl-2-butanyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzamide

  • Molecular FormulaC34H42ClN9O4S
  • Average mass708.273 Da
  • Monoisotopic mass707.276917 Da
  • ChemSpider ID26344603
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Chlor-N-[2-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)ethyl]-4-[(2-{[(2R)-1-hydroxy-3-methyl-2-butanyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-[2-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)ethyl]-4-[(2-{[(2R)-1-hydroxy-3-methyl-2-butanyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzamide [ACD/IUPAC Name]
2-Chloro-N-[2-({[5-(diméthylamino)-1-naphtyl]sulfonyl}amino)éthyl]-4-[(2-{[(2R)-1-hydroxy-3-méthyl-2-butanyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethyl]-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]- [ACD/Index Name]
1209002-43-6 [RN]
2-CHLORO-N-{2-[5-(DIMETHYLAMINO)NAPHTHALENE-1-SULFONAMIDO]ETHYL}-4-[(2-{[(2R)-1-HYDROXY-3-METHYLBUTAN-2-YL]AMINO}-9-(PROPAN-2-YL)-9H-PURIN-6-YL)AMINO]BENZAMIDE
2-CHLORO-N-{2-[5-(DIMETHYLAMINO)NAPHTHALENE-1-SULFONAMIDO]ETHYL}-4-[(2-{[(2R)-1-HYDROXY-3-METHYLBUTAN-2-YL]AMINO}-9-ISOPROPYLPURIN-6-YL)AMINO]BENZAMIDE
vmy-1-103

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 190.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7257.60
ACD/KOC (pH 5.5): 19947.27
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7550.61
ACD/KOC (pH 7.4): 20752.57
Polar Surface Area: 175 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 509.4±7.0 cm3

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