ChemSpider 2D Image | 2-Methyl-N-[(1-{[4-({4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}carbonyl)-1,3-thiazol-2-yl]methyl}-1H-pyrrol-2-yl)methyl]-N-propylbenzamide | C34H39N5O2S

2-Methyl-N-[(1-{[4-({4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}carbonyl)-1,3-thiazol-2-yl]methyl}-1H-pyrrol-2-yl)methyl]-N-propylbenzamide

  • Molecular FormulaC34H39N5O2S
  • Average mass581.771 Da
  • Monoisotopic mass581.282471 Da
  • ChemSpider ID22827466

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-N-[(1-{[4-({4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}carbonyl)-1,3-thiazol-2-yl]methyl}-1H-pyrrol-2-yl)methyl]-N-propylbenzamid [German] [ACD/IUPAC Name]
2-Methyl-N-[(1-{[4-({4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}carbonyl)-1,3-thiazol-2-yl]methyl}-1H-pyrrol-2-yl)methyl]-N-propylbenzamide [ACD/IUPAC Name]
2-Méthyl-N-[(1-{[4-({4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}carbonyl)-1,3-thiazol-2-yl]méthyl}-1H-pyrrol-2-yl)méthyl]-N-propylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 2-methyl-N-[[1-[[4-[[4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]carbonyl]-2-thiazolyl]methyl]-1H-pyrrol-2-yl]methyl]-N-propyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 785.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.1±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 174.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 108.29
ACD/KOC (pH 5.5): 541.98
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 839.60
ACD/KOC (pH 7.4): 4202.12
Polar Surface Area: 90 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 491.6±7.0 cm3

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