ChemSpider 2D Image | N-[5-({7-[(2S)-2-Hydroxy-3-(1-piperidinyl)propoxy]-6-methoxy-4-quinazolinyl}amino)-2-pyrimidinyl]benzamide | C28H31N7O4

N-[5-({7-[(2S)-2-Hydroxy-3-(1-piperidinyl)propoxy]-6-methoxy-4-quinazolinyl}amino)-2-pyrimidinyl]benzamide

  • Molecular FormulaC28H31N7O4
  • Average mass529.590 Da
  • Monoisotopic mass529.243774 Da
  • ChemSpider ID4591873

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[5-[[7-[(2S)-2-hydroxy-3-(1-piperidinyl)propoxy]-6-methoxy-4-quinazolinyl]amino]-2-pyrimidinyl]- [ACD/Index Name]
N-[5-({7-[(2S)-2-Hydroxy-3-(1-piperidinyl)propoxy]-6-methoxy-4-chinazolinyl}amino)-2-pyrimidinyl]benzamid [German] [ACD/IUPAC Name]
N-[5-({7-[(2S)-2-Hydroxy-3-(1-piperidinyl)propoxy]-6-methoxy-4-quinazolinyl}amino)-2-pyrimidinyl]benzamide [ACD/IUPAC Name]
N-[5-({7-[(2S)-2-Hydroxy-3-(1-pipéridinyl)propoxy]-6-méthoxy-4-quinazolinyl}amino)-2-pyrimidinyl]benzamide [French] [ACD/IUPAC Name]
N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
CHEMBL427212
HPM
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL427212/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 149.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 4.61
ACD/KOC (pH 7.4): 51.91
Polar Surface Area: 135 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement