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Search term: IKBCATXQFWJEDR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(4-Amino-3-methoxyphenyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | C21H19N3O3

3-(4-Amino-3-methoxyphenyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

  • Molecular FormulaC21H19N3O3
  • Average mass361.394 Da
  • Monoisotopic mass361.142639 Da
  • ChemSpider ID23288350

More details:

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

11H-Dibenzo[b,e][1,4]diazepin-11-one, 3-(4-amino-3-methoxyphenyl)-5,10-dihydro-8-methoxy- [ACD/Index Name]
3-(4-Amino-3-methoxyphenyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-on [German] [ACD/IUPAC Name]
3-(4-Amino-3-methoxyphenyl)-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one [ACD/IUPAC Name]
3-(4-Amino-3-méthoxyphényl)-8-méthoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazépin-11-one [French] [ACD/IUPAC Name]
8-methoxy-3-(3-methoxy-4-nitrophenyl)-5H-dibenzo[b,e][1,4]-diazepin-11(10H)-one
CHEMBL396060
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL396060/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.6±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.31
ACD/KOC (pH 5.5): 1277.02
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 122.64
ACD/KOC (pH 7.4): 1014.90
Polar Surface Area: 86 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 287.9±3.0 cm3

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