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Search term: DPJXIUXSMVOLCY-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2,4-Dichloro-N-[3-chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]benzamide | C26H18Cl3N3O2

2,4-Dichloro-N-[3-chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]benzamide

  • Molecular FormulaC26H18Cl3N3O2
  • Average mass510.799 Da
  • Monoisotopic mass509.046448 Da
  • ChemSpider ID8848646

More details:

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

2,4-Dichlor-N-[3-chlor-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]benzamid [German] [ACD/IUPAC Name]
2,4-Dichloro-N-[3-chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]benzamide [ACD/IUPAC Name]
2,4-Dichloro-N-[3-chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazépin-10(11H)-ylcarbonyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 2,4-dichloro-N-[3-chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]- [ACD/Index Name]
CHEMBL311230
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL311230/
N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-2,4-dichloro-benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33523.41
ACD/KOC (pH 5.5): 60370.95
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33516.12
ACD/KOC (pH 7.4): 60357.82
Polar Surface Area: 54 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 356.9±7.0 cm3

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