ChemSpider 2D Image | N-[5-({5-[(4-Acetylpiperazin-1-Yl)carbonyl]-4-Methoxy-2-Methylphenyl}sulfanyl)-1,3-Thiazol-2-Yl]-4-({[(1s)-1,2,2-Trimethylpropyl]amino}methyl)benzamide | C32H41N5O4S2

N-[5-({5-[(4-Acetylpiperazin-1-Yl)carbonyl]-4-Methoxy-2-Methylphenyl}sulfanyl)-1,3-Thiazol-2-Yl]-4-({[(1s)-1,2,2-Trimethylpropyl]amino}methyl)benzamide

  • Molecular FormulaC32H41N5O4S2
  • Average mass623.829 Da
  • Monoisotopic mass623.260010 Da
  • ChemSpider ID25058952
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzamide, N-[5-[[5-[(4-acetyl-1-piperazinyl)carbonyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[[[(1S)-1,2,2-trimethylpropyl]amino]methyl]- [ACD/Index Name]
N-[5-({5-[(4-Acetyl-1-piperazinyl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(2S)-3,3-dimethyl-2-butanyl]amino}methyl)benzamid [German] [ACD/IUPAC Name]
N-[5-({5-[(4-Acetyl-1-piperazinyl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(2S)-3,3-dimethyl-2-butanyl]amino}methyl)benzamide [ACD/IUPAC Name]
N-[5-({5-[(4-Acétyl-1-pipérazinyl)carbonyl]-4-méthoxy-2-méthylphényl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(2S)-3,3-diméthyl-2-butanyl]amino}méthyl)benzamide [French] [ACD/IUPAC Name]
N-[5-({5-[(4-Acetylpiperazin-1-Yl)carbonyl]-4-Methoxy-2-Methylphenyl}sulfanyl)-1,3-Thiazol-2-Yl]-4-({[(1s)-1,2,2-Trimethylpropyl]amino}methyl)benzamide
439575-02-7 [RN]
BMS-509744
MJG
UNII-5V7VG25953

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 173.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 5.46
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 21.00
Polar Surface Area: 157 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 485.8±5.0 cm3

Click to predict properties on the Chemicalize site






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