ChemSpider 2D Image | N-[(2S)-1-Hydroxy-2-butanyl]-3-(4-oxo-1,4-dihydro-2-quinazolinyl)propanamide | C15H19N3O3

N-[(2S)-1-Hydroxy-2-butanyl]-3-(4-oxo-1,4-dihydro-2-quinazolinyl)propanamide

  • Molecular FormulaC15H19N3O3
  • Average mass289.330 Da
  • Monoisotopic mass289.142639 Da
  • ChemSpider ID31136224
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Quinazolinepropanamide, 3,4-dihydro-N-[(1S)-1-(hydroxymethyl)propyl]-4-oxo- [ACD/Index Name]
N-[(2S)-1-Hydroxy-2-butanyl]-3-(4-oxo-1,4-dihydro-2-chinazolinyl)propanamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-2-butanyl]-3-(4-oxo-1,4-dihydro-2-quinazolinyl)propanamide [ACD/IUPAC Name]
N-[(2S)-1-Hydroxy-2-butanyl]-3-(4-oxo-1,4-dihydro-2-quinazolinyl)propanamide [French] [ACD/IUPAC Name]
N-[(2s)-1-Hydroxybutan-2-Yl]-3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamide
10.1021/jm401394u
CHEMBL3092521
M00

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 78.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.01
Polar Surface Area: 91 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 222.2±7.0 cm3

Click to predict properties on the Chemicalize site






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