ChemSpider 2D Image | 3-[4-(2,3-Dihydroxypropoxy)-3-methoxyphenyl]-8-{2-[4-(4-morpholinyl)phenoxy]ethyl}-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | C35H37N3O7

3-[4-(2,3-Dihydroxypropoxy)-3-methoxyphenyl]-8-{2-[4-(4-morpholinyl)phenoxy]ethyl}-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

  • Molecular FormulaC35H37N3O7
  • Average mass611.684 Da
  • Monoisotopic mass611.263123 Da
  • ChemSpider ID24808816

More details:

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

11H-Dibenzo[b,e][1,4]diazepin-11-one, 3-[4-(2,3-dihydroxypropoxy)-3-methoxyphenyl]-5,10-dihydro-8-[2-[4-(4-morpholinyl)phenoxy]ethyl]- [ACD/Index Name]
3-[4-(2,3-Dihydroxypropoxy)-3-methoxyphenyl]-8-{2-[4-(4-morpholinyl)phenoxy]ethyl}-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-on [German] [ACD/IUPAC Name]
3-[4-(2,3-Dihydroxypropoxy)-3-methoxyphenyl]-8-{2-[4-(4-morpholinyl)phenoxy]ethyl}-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one [ACD/IUPAC Name]
3-[4-(2,3-Dihydroxypropoxy)-3-méthoxyphényl]-8-{2-[4-(4-morpholinyl)phénoxy]éthyl}-5,10-dihydro-11H-dibenzo[b,e][1,4]diazépin-11-one [French] [ACD/IUPAC Name]
Kinome_1698

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

Density: 1.3±0.1 g/cm3
Boiling Point: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.5±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 174.61
ACD/KOC (pH 5.5): 995.90
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 491.32
ACD/KOC (pH 7.4): 2802.22
Polar Surface Area: 122 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 478.6±3.0 cm3

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