ChemSpider 2D Image | N-{3-[(4-Fluorobenzyl)amino]-3-oxopropyl}-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarboxamide | C22H26FN3O4

N-{3-[(4-Fluorobenzyl)amino]-3-oxopropyl}-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarboxamide

  • Molecular FormulaC22H26FN3O4
  • Average mass415.458 Da
  • Monoisotopic mass415.190735 Da
  • ChemSpider ID21532313

More details:

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

2(1H)-Isoquinolinecarboxamide, N-[3-[[(4-fluorophenyl)methyl]amino]-3-oxopropyl]-3,4-dihydro-6,7-dimethoxy- [ACD/Index Name]
N-{3-[(4-Fluorbenzyl)amino]-3-oxopropyl}-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(4-Fluorobenzyl)amino]-3-oxopropyl}-6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-{3-[(4-Fluorobenzyl)amino]-3-oxopropyl}-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarboxamide [ACD/IUPAC Name]
6,7-Dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [2-(4-fluoro-benzylcarbamoyl)-ethyl]-amide
919740-30-0 [RN]
AGN-PC-01KIB1
AKOS005683659
AO-022/43452617
LBGDXZQAAWJQGB-UHFFFAOYSA-N
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 671.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.7±3.0 kJ/mol
    Flash Point: 360.0±31.5 °C
    Index of Refraction: 1.570
    Molar Refractivity: 110.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 2.60
    ACD/BCF (pH 5.5): 55.78
    ACD/KOC (pH 5.5): 619.04
    ACD/LogD (pH 7.4): 2.60
    ACD/BCF (pH 7.4): 55.78
    ACD/KOC (pH 7.4): 619.03
    Polar Surface Area: 80 Å2
    Polarizability: 43.7±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 335.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement