ChemSpider 2D Image | 5-({4-[4-(Diisobutylamino)butyl]phenyl}acetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | C33H41N3O2

5-({4-[4-(Diisobutylamino)butyl]phenyl}acetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

  • Molecular FormulaC33H41N3O2
  • Average mass511.698 Da
  • Monoisotopic mass511.319885 Da
  • ChemSpider ID117386

More details:

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

11H-Dibenzo[b,e][1,4]diazepin-11-one, 5-[2-[4-[4-[bis(2-methylpropyl)amino]butyl]phenyl]acetyl]-5,10-dihydro- [ACD/Index Name]
5-({4-[4-(Diisobutylamino)butyl]phenyl}acetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-on [German] [ACD/IUPAC Name]
5-({4-[4-(Diisobutylamino)butyl]phenyl}acetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one [ACD/IUPAC Name]
5-(2-{4-[4-(Diisobutylamino)butyl]phényl}acétyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazépin-11-one [French] [ACD/IUPAC Name]
11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5-((4-(4-(bis(2-methylpropyl)amino)butyl)phenyl)acetyl)-5,10-dihydro-
156586-94-6 [RN]
5-((4-(4-(Bis(2-methylpropyl)amino)butyl)phenyl)acetyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one
5-((4-(4-(Diisobutylamino)butyl)-1-phenyl)acetyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepin-11-one
5-((4-(4-(DIISOBUTYLAMINO)BUTYL)-1-PHENYL)ACETYL)-10,11-DIHYDRO-5H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE
DIBD

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

Density: 1.1±0.1 g/cm3
Boiling Point: 646.9±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.0±31.2 °C
Index of Refraction: 1.576
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 27.40
ACD/KOC (pH 5.5): 50.42
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 239.39
ACD/KOC (pH 7.4): 440.52
Polar Surface Area: 53 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 465.2±3.0 cm3

Click to predict properties on the Chemicalize site


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