ChemSpider 2D Image | 3-({[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}amino)benzoic acid | C17H18N4O3

3-({[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}amino)benzoic acid

  • Molecular FormulaC17H18N4O3
  • Average mass326.350 Da
  • Monoisotopic mass326.137878 Da
  • ChemSpider ID29204144

More details:

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

3-({[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
3-({[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 3-({[4-(2-pyridinyl)-1-pipérazinyl]carbonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[4-(2-pyridinyl)-1-piperazinyl]carbonyl]amino]- [ACD/Index Name]
1429902-85-1 [RN]
3-([(4-PYridin-2-ylpiperazin-1-yl)carbonyl]amino)benzoic acid
3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzoic acid
3-[(4-Pyridin-2-yl-piperazine-1-carbonyl)-amino]-benzoic acid
3-{[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]amino}benzoic acid
3-{[4-(pyridin-2-yl)piperazine-1-carbonyl]amino}benzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 637.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.9±3.0 kJ/mol
    Flash Point: 339.1±31.5 °C
    Index of Refraction: 1.672
    Molar Refractivity: 88.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.22
    ACD/LogD (pH 5.5): -0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 86 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 71.9±3.0 dyne/cm
    Molar Volume: 237.1±3.0 cm3

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