ChemSpider 2D Image | (3S)-N-{2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-6-methoxy-3-chromanecarboxamide | C24H28N4O4

(3S)-N-{2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-6-methoxy-3-chromanecarboxamide

  • Molecular FormulaC24H28N4O4
  • Average mass436.504 Da
  • Monoisotopic mass436.211060 Da
  • ChemSpider ID28637774

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-N-{2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-6-methoxy-3-chromancarboxamid [German] [ACD/IUPAC Name]
(3S)-N-{2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-6-methoxy-3-chromanecarboxamide [ACD/IUPAC Name]
(3S)-N-{2-[2-(Diméthylamino)éthoxy]-4-(1H-pyrazol-4-yl)phényl}-6-méthoxy-3-chromanecarboxamide [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-carboxamide, N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-6-methoxy-, (3S)- [ACD/Index Name]
(3S)?-N-?[2-?[2-?(dimethylamino)?ethoxy]?-?4-?(1H-?pyrazol-?4-?yl)?phenyl]?-?3,?4-?dihydro-?6-?methoxy-2H-?1-?Benzopyran-?3-?carboxamide?
(3S)-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
(3S)-N-{2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
(S)-N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-6-methoxychromane-3-carboxamide
[1273579-40-0] [RN]
1273579-40-0 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15392
      Cell Cycle/DNA Damage; TGF-beta/Smad; MedChem Express HY-15392
      chroman 1 is a highly potent and selective ROCK II inhibitor. MedChem Express
      chroman 1 is a highly potent and selective ROCK II inhibitor.; IC50 value:; Target: ROCK II; MedChem Express HY-15392
      chroman 1 is a highly potent and selective ROCK II inhibitor.;IC50 value:;Target: ROCK II MedChem Express HY-15392
      ROCK MedChem Express HY-15392

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.6±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 4.06
ACD/KOC (pH 7.4): 36.28
Polar Surface Area: 89 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 347.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement