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Search term: IXAPCYKVLYGBPQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-({4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}amino)-4-methoxybenzoic acid | C22H19N5O5

2-({4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}amino)-4-methoxybenzoic acid

  • Molecular FormulaC22H19N5O5
  • Average mass433.417 Da
  • Monoisotopic mass433.138611 Da
  • ChemSpider ID127425928

More details:

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

2-({4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}amino)-4-methoxybenzoesäure [German] [ACD/IUPAC Name]
2-({4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}amino)-4-methoxybenzoic acid [ACD/IUPAC Name]
Acide 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)méthyl]benzoyl}amino)-4-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-[(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl]amino]-4-methoxy- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4476613/

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: 1.727
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.22
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 282.7±7.0 cm3

Click to predict properties on the Chemicalize site


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