ChemSpider 2D Image | 1-(7-Chloro-2-{2-chloro-5-[(isobutyrylamino)methyl]phenyl}-4-oxo-3,4-dihydro-6-quinazolinyl)-N-methyl-4-piperidinecarboxamide | C26H29Cl2N5O3

1-(7-Chloro-2-{2-chloro-5-[(isobutyrylamino)methyl]phenyl}-4-oxo-3,4-dihydro-6-quinazolinyl)-N-methyl-4-piperidinecarboxamide

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID58119821

More details:

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

1-(7-Chlor-2-{2-chlor-5-[(isobutyrylamino)methyl]phenyl}-4-oxo-3,4-dihydro-6-chinazolinyl)-N-methyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-(7-Chloro-2-{2-chloro-5-[(isobutyrylamino)methyl]phenyl}-4-oxo-3,4-dihydro-6-quinazolinyl)-N-methyl-4-piperidinecarboxamide [ACD/IUPAC Name]
1-(7-Chloro-2-{2-chloro-5-[(isobutyrylamino)méthyl]phényl}-4-oxo-3,4-dihydro-6-quinazolinyl)-N-méthyl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[7-chloro-2-[2-chloro-5-[[(2-methyl-1-oxopropyl)amino]methyl]phenyl]-3,4-dihydro-4-oxo-6-quinazolinyl]-N-methyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3342845/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 139.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.78
ACD/KOC (pH 5.5): 1213.05
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 139.98
ACD/KOC (pH 7.4): 1189.25
Polar Surface Area: 103 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 374.0±7.0 cm3

Click to predict properties on the Chemicalize site


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