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Search term: UHXSMHRHMWNZNO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl [11-oxo-3-(4-pyridinylamino)-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate | C21H18N4O3

Methyl [11-oxo-3-(4-pyridinylamino)-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate

  • Molecular FormulaC21H18N4O3
  • Average mass374.393 Da
  • Monoisotopic mass374.137878 Da
  • ChemSpider ID24627730

More details:

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

[11-Oxo-3-(4-pyridinylamino)-10,11-dihydro-5H-dibenzo[b,e][1,4]diazépin-8-yl]acétate de méthyle [French] [ACD/IUPAC Name]
5H-Dibenzo[b,e][1,4]diazepine-8-acetic acid, 10,11-dihydro-11-oxo-3-(4-pyridinylamino)-, methyl ester [ACD/Index Name]
Methyl [11-oxo-3-(4-pyridinylamino)-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate [ACD/IUPAC Name]
Methyl [11-Oxo-3-(Pyridin-4-Ylamino)-10,11-Dihydro-5h-Dibenzo[b,E][1,4]diazepin-8-Yl]acetate
Methyl-[11-oxo-3-(4-pyridinylamino)-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetat [German] [ACD/IUPAC Name]
7HK
Chk1_125
methyl 2-(11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.2±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 22.50
ACD/KOC (pH 5.5): 191.91
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.01
ACD/KOC (pH 7.4): 1125.87
Polar Surface Area: 92 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 284.4±3.0 cm3

Click to predict properties on the Chemicalize site


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