ChemSpider 2D Image | 2-[4-(4-hydroxy-1-piperidinyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone | C24H26N6O2

2-[4-(4-hydroxy-1-piperidinyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone

  • Molecular FormulaC24H26N6O2
  • Average mass430.502 Da
  • Monoisotopic mass430.211731 Da
  • ChemSpider ID34963853

More details:

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

2-[4-(4-hydroxy-1-piperidinyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone
2-{[4-(4-Hydroxy-1-piperidinyl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-on [German] [ACD/IUPAC Name]
2-{[4-(4-Hydroxy-1-piperidinyl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one [ACD/IUPAC Name]
2-{[4-(4-Hydroxy-1-pipéridinyl)phényl]amino}-5,11-diméthyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazépin-6-one [French] [ACD/IUPAC Name]
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,11-dimethyl- [ACD/Index Name]
1234481-08-3 [RN]
2-((4-(4-Hydroxypiperidin-1-Yl)phenyl)amino)-5,11-Dimethyl-5h-Benzo[e]pyrimido [5,4-B][1,4]diazepin-6(11h)-One
Scaffold, B54
XMD-12
ZTX

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.0±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 122.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 11.31
ACD/KOC (pH 7.4): 160.94
Polar Surface Area: 85 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 324.2±3.0 cm3

Click to predict properties on the Chemicalize site


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