ChemSpider 2D Image | N-(4-{[(2-Amino-4-oxo-1,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}benzoyl)-L-glutamic acid | C23H21N5O6S

N-(4-{[(2-Amino-4-oxo-1,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC23H21N5O6S
  • Average mass495.508 Da
  • Monoisotopic mass495.121246 Da
  • ChemSpider ID26325566

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-(4-{[(2-amino-4-oxo-1,4-dihydro[1]benzothiéno[2,3-d]pyrimidin-5-yl)méthyl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[(2-amino-3,4-dihydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino]benzoyl]- [ACD/Index Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2-Amino-4-oxo-1,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-[(4-{[(2-Amino-4-Oxo-3,4-Dihydro[1]benzothieno[2,3-D]pyrimidin-5-Yl)methyl]amino}phenyl)carbonyl]-L-Glutamic Acid
3TZ

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 76.3±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

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