Found 1 result

Search term: BUZJOXNDWIIWSG-JSOSNVBQSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[3-({[(1S,2R)-2-{[(2E)-2-Cyano-4,4-dimethyl-2-pentenoyl]amino}cyclopentyl]oxy}methyl)benzyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide | C34H45N5O3

N-[3-({[(1S,2R)-2-{[(2E)-2-Cyano-4,4-dimethyl-2-pentenoyl]amino}cyclopentyl]oxy}methyl)benzyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide

  • Molecular FormulaC34H45N5O3
  • Average mass571.753 Da
  • Monoisotopic mass571.352234 Da
  • ChemSpider ID88298464

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[[3-[[[(1S,2R)-2-[[(2E)-2-cyano-4,4-dimethyl-1-oxo-2-penten-1-yl]amino]cyclopentyl]oxy]methyl]phenyl]methyl]-4-[(4-methyl-1-piperazinyl)methyl]- [ACD/Index Name]
N-[3-({[(1S,2R)-2-{[(2E)-2-Cyan-4,4-dimethyl-2-pentenoyl]amino}cyclopentyl]oxy}methyl)benzyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamid [German] [ACD/IUPAC Name]
N-[3-({[(1S,2R)-2-{[(2E)-2-Cyano-4,4-dimethyl-2-pentenoyl]amino}cyclopentyl]oxy}methyl)benzyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide [ACD/IUPAC Name]
N-[3-({[(1S,2R)-2-{[(2E)-2-Cyano-4,4-diméthyl-2-pentenoyl]amino}cyclopentyl]oxy}méthyl)benzyl]-4-[(4-méthyl-1-pipérazinyl)méthyl]benzamide [French] [ACD/IUPAC Name]
SB1495

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.3±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 9.10
ACD/KOC (pH 5.5): 44.20
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 403.34
ACD/KOC (pH 7.4): 1960.29
Polar Surface Area: 98 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 484.1±5.0 cm3

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