ChemSpider 2D Image | 2-(5-{[(2-Amino-4-oxo-1,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid | C24H21N5O6S

2-(5-{[(2-Amino-4-oxo-1,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid

  • Molecular FormulaC24H21N5O6S
  • Average mass507.518 Da
  • Monoisotopic mass507.121246 Da
  • ChemSpider ID26325564
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-(5-{[(2-Amino-4-oxo-1,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentandisäure [German] [ACD/IUPAC Name]
2-(5-{[(2-Amino-4-oxo-1,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid [ACD/IUPAC Name]
Acide 2-(5-{[(2-amino-4-oxo-1,4-dihydro[1]benzothiéno[2,3-d]pyrimidin-5-yl)méthyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[5-[[(2-amino-3,4-dihydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]- [ACD/Index Name]
3TU

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.817
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 82.4±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

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