ChemSpider 2D Image | N-(4-{[(6S)-4-Hydroxy-2-(hydroxymethyl)-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl](2-propyn-1-yl)amino}benzoyl)-gamma-glutamylglutamic acid | C32H33N5O10

N-(4-{[(6S)-4-Hydroxy-2-(hydroxymethyl)-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl](2-propyn-1-yl)amino}benzoyl)-γ-glutamylglutamic acid

  • Molecular FormulaC32H33N5O10
  • Average mass647.632 Da
  • Monoisotopic mass647.222717 Da
  • ChemSpider ID88297766

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Acide N-(4-{[(6S)-4-hydroxy-2-(hydroxyméthyl)-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl](2-propyn-1-yl)amino}benzoyl)-γ-glutamylglutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[[(6S)-7,8-dihydro-4-hydroxy-2-(hydroxymethyl)-6H-cyclopenta[g]quinazolin-6-yl]-2-propyn-1-ylamino]benzoyl]-γ-glutamyl- [ACD/Index Name]
N-(4-{[(6S)-4-Hydroxy-2-(hydroxymethyl)-7,8-dihydro-6H-cyclopenta[g]chinazolin-6-yl](2-propin-1-yl)amino}benzoyl)-γ-glutamylglutaminsäure [German] [ACD/IUPAC Name]
N-(4-{[(6S)-4-Hydroxy-2-(hydroxymethyl)-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl](2-propyn-1-yl)amino}benzoyl)-γ-glutamylglutamic acid [ACD/IUPAC Name]
1236667-40-5 [RN]
Ifidancitinib

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1003.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.3±3.0 kJ/mol
Flash Point: 560.4±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -5.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 86.2±3.0 dyne/cm
Molar Volume: 431.1±3.0 cm3

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