ChemSpider 2D Image | N-[trans-4-(4-Cyanophenoxy)cyclohexyl]-3-[(4-oxo-1,4-dihydro-2-quinazolinyl)sulfanyl]propanamide | C24H24N4O3S

N-[trans-4-(4-Cyanophenoxy)cyclohexyl]-3-[(4-oxo-1,4-dihydro-2-quinazolinyl)sulfanyl]propanamide

  • Molecular FormulaC24H24N4O3S
  • Average mass448.537 Da
  • Monoisotopic mass448.156921 Da
  • ChemSpider ID31134606
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

N-[trans-4-(4-Cyanophenoxy)cyclohexyl]-3-[(4-oxo-1,4-dihydro-2-quinazolinyl)sulfanyl]propanamide [ACD/IUPAC Name]
N-[trans-4-(4-Cyanophénoxy)cyclohexyl]-3-[(4-oxo-1,4-dihydro-2-quinazolinyl)sulfanyl]propanamide [French] [ACD/IUPAC Name]
N-[trans-4-(4-Cyanophenoxy)cyclohexyl]-3-[(4-Oxo-3,4-Dihydroquinazolin-2-Yl)sulfanyl]propanamide
N-[trans-4-(4-Cyanphenoxy)cyclohexyl]-3-[(4-oxo-1,4-dihydro-2-chinazolinyl)sulfanyl]propanamid [German] [ACD/IUPAC Name]
Propanamide, N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(3,4-dihydro-4-oxo-2-quinazolinyl)thio]- [ACD/Index Name]
10.1021/jm401317z
1507362-06-2 [RN]
2D6
N-((1r,4r)-4-(4-cyanophenoxy)cyclohexyl)-3-((4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanamide
Tankyrase Inhibitors (TNKS) 49
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.15
ACD/KOC (pH 5.5): 1500.45
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.63
ACD/KOC (pH 7.4): 1488.58
Polar Surface Area: 129 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 331.0±7.0 cm3

Click to predict properties on the Chemicalize site






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