ChemSpider 2D Image | 9-Cyclopentyl-2-(4-(4-Hydroxypiperidin-1-Yl)-2-Methoxyphenylamino)-5-Methyl-8,9-Dihydro-5h-Pyrimido[4,5-B][1,4]diazepin-6(7h)-One | C25H34N6O3

9-Cyclopentyl-2-(4-(4-Hydroxypiperidin-1-Yl)-2-Methoxyphenylamino)-5-Methyl-8,9-Dihydro-5h-Pyrimido[4,5-B][1,4]diazepin-6(7h)-One

  • Molecular FormulaC25H34N6O3
  • Average mass466.576 Da
  • Monoisotopic mass466.269226 Da
  • ChemSpider ID24603928

More details:

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

6H-Pyrimido[4,5-b][1,4]diazepin-6-one, 9-cyclopentyl-5,7,8,9-tetrahydro-2-[[4-(4-hydroxy-1-piperidinyl)-2-methoxyphenyl]amino]-5-methyl- [ACD/Index Name]
9-Cyclopentyl-2-(4-(4-Hydroxypiperidin-1-Yl)-2-Methoxyphenylamino)-5-Methyl-8,9-Dihydro-5h-Pyrimido[4,5-B][1,4]diazepin-6(7h)-One
9-Cyclopentyl-2-{[4-(4-hydroxy-1-piperidinyl)-2-methoxyphenyl]amino}-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-on [German] [ACD/IUPAC Name]
9-Cyclopentyl-2-{[4-(4-hydroxy-1-piperidinyl)-2-methoxyphenyl]amino}-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one [ACD/IUPAC Name]
9-Cyclopentyl-2-{[4-(4-hydroxy-1-pipéridinyl)-2-méthoxyphényl]amino}-5-méthyl-5,7,8,9-tétrahydro-6H-pyrimido[4,5-b][1,4]diazépin-6-one [French] [ACD/IUPAC Name]
92M
9-Cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[5,4-b][1,4]diazepin-6(7H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.8±35.7 °C
Index of Refraction: 1.641
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 7.77
ACD/KOC (pH 5.5): 98.36
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.64
ACD/KOC (pH 7.4): 425.76
Polar Surface Area: 94 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 360.7±3.0 cm3

Click to predict properties on the Chemicalize site


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