ChemSpider 2D Image | Dimethyl 5-[({[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)amino]isophthalate | C24H21N5O6S

Dimethyl 5-[({[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)amino]isophthalate

  • Molecular FormulaC24H21N5O6S
  • Average mass507.518 Da
  • Monoisotopic mass507.121246 Da
  • ChemSpider ID3295258

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[2-[[4,5-dihydro-5-(2-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetyl]amino]-, dimethyl ester [ACD/Index Name]
5-[(2-{[5-(2-Méthylphényl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acétyl)amino]isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-[({[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)amino]isophthalate [ACD/IUPAC Name]
Dimethyl-5-[({[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)amino]isophthalat [German] [ACD/IUPAC Name]
dimethyl 5-[({[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio}acetyl)amino]isophthalate

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

CDS1_002394 [DBID]
ChemDiv1_015130 [DBID]
DivK1c_003434 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 132.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 61.12
ACD/KOC (pH 5.5): 639.81
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 7.02
ACD/KOC (pH 7.4): 73.47
Polar Surface Area: 168 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 348.0±7.0 cm3

Click to predict properties on the Chemicalize site


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