ChemSpider 2D Image | 5,13-Dimethyl-2-{[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino}-5,13-dihydro-6H-naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-one | C25H26N8O

5,13-Dimethyl-2-{[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino}-5,13-dihydro-6H-naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-one

  • Molecular FormulaC25H26N8O
  • Average mass454.527 Da
  • Monoisotopic mass454.222961 Da
  • ChemSpider ID68051369

More details:

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

5,13-Dimethyl-2-{[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino}-5,13-dihydro-6H-naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-on [German] [ACD/IUPAC Name]
5,13-Dimethyl-2-{[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino}-5,13-dihydro-6H-naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-one [ACD/IUPAC Name]
5,13-Diméthyl-2-{[1-(4-pipéridinyl)-1H-pyrazol-4-yl]amino}-5,13-dihydro-6H-naphto[2,3-e]pyrimido[5,4-b][1,4]diazépin-6-one [French] [ACD/IUPAC Name]
6H-Naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-one, 5,13-dihydro-5,13-dimethyl-2-[[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±35.7 °C
Index of Refraction: 1.764
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 91 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 315.0±7.0 cm3

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