ChemSpider 2D Image | 4-{7-Methoxy-6-[3-(4-morpholinyl)propoxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile | C25H26N4O3

4-{7-Methoxy-6-[3-(4-morpholinyl)propoxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile

  • Molecular FormulaC25H26N4O3
  • Average mass430.499 Da
  • Monoisotopic mass430.200500 Da
  • ChemSpider ID23307831

More details:

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

4-{7-Methoxy-6-[3-(4-morpholinyl)propoxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitril [German] [ACD/IUPAC Name]
4-{7-Methoxy-6-[3-(4-morpholinyl)propoxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile [ACD/IUPAC Name]
4-{7-Méthoxy-6-[3-(4-morpholinyl)propoxy]-2,4-dihydroindéno[1,2-c]pyrazol-3-yl}benzonitrile [French] [ACD/IUPAC Name]
4-{7-Methoxy-6-[3-(Morpholin-4-Yl)propoxy]-1,4-Dihydroindeno[1,2-C]pyrazol-3-Yl}benzonitrile
4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile
Benzonitrile, 4-[2,4-dihydro-7-methoxy-6-[3-(4-morpholinyl)propoxy]indeno[1,2-c]pyrazol-3-yl]- [ACD/Index Name]
3HK
4-[7-methoxy-6-(3-morpholin-4-yl-propoxy)-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl]-benzonitrile
CHEMBL400689
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400689/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.3±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 36.41
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 130.04
ACD/KOC (pH 7.4): 1003.77
Polar Surface Area: 83 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 323.0±5.0 cm3

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