ChemSpider 2D Image | N-[(2S)-1-(4-{N-[(2,4-Dichlorophenyl)sulfonyl]seryl}-1-piperazinyl)-4-methyl-1-oxo-2-pentanyl]-1-benzothiophene-2-carboxamide | C28H32Cl2N4O6S2

N-[(2S)-1-(4-{N-[(2,4-Dichlorophenyl)sulfonyl]seryl}-1-piperazinyl)-4-methyl-1-oxo-2-pentanyl]-1-benzothiophene-2-carboxamide

  • Molecular FormulaC28H32Cl2N4O6S2
  • Average mass655.613 Da
  • Monoisotopic mass654.114014 Da
  • ChemSpider ID107443857

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[(1S)-1-[[4-[2-[[(2,4-dichlorophenyl)sulfonyl]amino]-3-hydroxy-1-oxopropyl]-1-piperazinyl]carbonyl]-3-methylbutyl]- [ACD/Index Name]
N-[(2S)-1-(4-{N-[(2,4-Dichlorophenyl)sulfonyl]seryl}-1-piperazinyl)-4-methyl-1-oxo-2-pentanyl]-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-(4-{N-[(2,4-Dichlorophényl)sulfonyl]séryl}-1-pipérazinyl)-4-méthyl-1-oxo-2-pentanyl]-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-(4-{N-[(2,4-Dichlorphenyl)sulfonyl]seryl}-1-piperazinyl)-4-methyl-1-oxo-2-pentanyl]-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
942206-85-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 165.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1071.09
ACD/KOC (pH 5.5): 5127.63
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 841.55
ACD/KOC (pH 7.4): 4028.78
Polar Surface Area: 173 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 459.5±3.0 cm3

Click to predict properties on the Chemicalize site


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