ChemSpider 2D Image | N-[5-({3-[(4-Acetyl-1-piperazinyl)carbonyl]-4,5-dimethylbenzyl}sulfanyl)-1,3-thiazol-2-yl]-4-{[(1-hydroxy-3-methyl-2-butanyl)amino]methyl}benzamide | C32H41N5O4S2

N-[5-({3-[(4-Acetyl-1-piperazinyl)carbonyl]-4,5-dimethylbenzyl}sulfanyl)-1,3-thiazol-2-yl]-4-{[(1-hydroxy-3-methyl-2-butanyl)amino]methyl}benzamide

  • Molecular FormulaC32H41N5O4S2
  • Average mass623.829 Da
  • Monoisotopic mass623.260010 Da
  • ChemSpider ID19322503

More details:

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

Benzamide, N-[5-[[[3-[(4-acetyl-1-piperazinyl)carbonyl]-4,5-dimethylphenyl]methyl]thio]-2-thiazolyl]-4-[[[1-(hydroxymethyl)-2-methylpropyl]amino]methyl]- [ACD/Index Name]
N-[5-({3-[(4-Acetyl-1-piperazinyl)carbonyl]-4,5-dimethylbenzyl}sulfanyl)-1,3-thiazol-2-yl]-4-{[(1-hydroxy-3-methyl-2-butanyl)amino]methyl}benzamid [German] [ACD/IUPAC Name]
N-[5-({3-[(4-Acetyl-1-piperazinyl)carbonyl]-4,5-dimethylbenzyl}sulfanyl)-1,3-thiazol-2-yl]-4-{[(1-hydroxy-3-methyl-2-butanyl)amino]methyl}benzamide [ACD/IUPAC Name]
N-[5-({3-[(4-Acétyl-1-pipérazinyl)carbonyl]-4,5-diméthylbenzyl}sulfanyl)-1,3-thiazol-2-yl]-4-{[(1-hydroxy-3-méthyl-2-butanyl)amino]méthyl}benzamide [French] [ACD/IUPAC Name]
N-[5-({3-[(4-acetylpiperazin-1-yl)carbonyl]-4,5-dimethylbenzyl}sulfanyl)-1,3-thiazol-2-yl]-4-{[(1-hydroxy-3-methylbutan-2-yl)amino]methyl}benzamide
CHEMBL383129
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL383129/
N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4,5-dimethylbenzylthio)thiazol-2-yl)-4-((1-hydroxy-3-methylbutan-2-ylamino)methyl)benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 173.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 7.08
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 10.42
ACD/KOC (pH 7.4): 66.70
Polar Surface Area: 168 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 477.3±5.0 cm3

Click to predict properties on the Chemicalize site


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