ChemSpider 2D Image | [5-(Isobutyrylamino)-1H-indol-3-yl][4-(2-pyridinylmethyl)-1-piperazinyl]acetic acid | C24H29N5O3

[5-(Isobutyrylamino)-1H-indol-3-yl][4-(2-pyridinylmethyl)-1-piperazinyl]acetic acid

  • Molecular FormulaC24H29N5O3
  • Average mass435.519 Da
  • Monoisotopic mass435.227051 Da
  • ChemSpider ID23495864

More details:

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

[5-(Isobutyrylamino)-1H-indol-3-yl][4-(2-pyridinylmethyl)-1-piperazinyl]acetic acid [ACD/IUPAC Name]
[5-(Isobutyrylamino)-1H-indol-3-yl][4-(2-pyridinylmethyl)-1-piperazinyl]essigsäure [German] [ACD/IUPAC Name]
[5-(Isobutyrylamino)-1H-indol-3-yl][4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
1H-Indole-3-acetic acid, 5-[(2-methyl-1-oxopropyl)amino]-α-[4-(2-pyridinylmethyl)-1-piperazinyl]- [ACD/Index Name]
Acide [5-(isobutyrylamino)-1H-indol-3-yl][4-(2-pyridinylméthyl)-1-pipérazinyl]acétique [French] [ACD/IUPAC Name]
(5-Isobutyrylamino-1H-indol-3-yl)-(4-pyridin-2-ylmethyl-piperazin-1-yl)-acetic acid
{5-[(2-methylpropanoyl)amino]-1H-indol-3-yl}[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
1214075-25-8 [RN]
2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 690.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.3±3.0 kJ/mol
    Flash Point: 371.3±31.5 °C
    Index of Refraction: 1.677
    Molar Refractivity: 124.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.56
    ACD/LogD (pH 5.5): -1.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 49.1±0.5 10-24cm3
    Surface Tension: 70.2±3.0 dyne/cm
    Molar Volume: 329.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement