ChemSpider 2D Image | 2-[(4-Acetyl-1-piperazinyl)methyl]-4-[(6-chloro-3-pyridinyl)amino]-4-oxobutanoic acid | C16H21ClN4O4

2-[(4-Acetyl-1-piperazinyl)methyl]-4-[(6-chloro-3-pyridinyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC16H21ClN4O4
  • Average mass368.815 Da
  • Monoisotopic mass368.125122 Da
  • ChemSpider ID30665814

More details:

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

1-Piperazinepropanoic acid, 4-acetyl-α-[2-[(6-chloro-3-pyridinyl)amino]-2-oxoethyl]- [ACD/Index Name]
2-[(4-Acetyl-1-piperazinyl)methyl]-4-[(6-chlor-3-pyridinyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
2-[(4-Acetyl-1-piperazinyl)methyl]-4-[(6-chloro-3-pyridinyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
Acide 2-[(4-acétyl-1-pipérazinyl)méthyl]-4-[(6-chloro-3-pyridinyl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
1374517-46-0 [RN]
2-((4-acetylpiperazin-1-yl)methyl)-4-((6-chloropyridin-3-yl)amino)-4-oxobutanoic acid
2-(4-Acetyl-piperazin-1-ylmethyl)-N-(6-chloro-pyridin-3-yl)-succinamic acid
2-[(4-ACETYLPIPERAZIN-1-YL)METHYL]-3-[(6-CHLOROPYRIDIN-3-YL)CARBAMOYL]PROPANOIC ACID
2-[(4-acetylpiperazin-1-yl)methyl]-4-[(6-chloropyridin-3-yl)amino]-4-oxobutanoic acid
AGN-PC-0DAXAZ
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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: 673.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 361.1±31.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 91.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): -1.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 103 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 64.3±3.0 dyne/cm
    Molar Volume: 268.1±3.0 cm3

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