Found 1 result

Search term: NQGAZNWSUPTLIO-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)benzoic acid | C21H17N5O4

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

  • Molecular FormulaC21H17N5O4
  • Average mass403.391 Da
  • Monoisotopic mass403.128052 Da
  • ChemSpider ID128723093

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)benzoesäure [German] [ACD/IUPAC Name]
2-({4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}amino)benzoic 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)benzoïque [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]- [ACD/Index Name]

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: 1.753
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.01
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 261.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement