ChemSpider 2D Image | Benzyl [(2S)-6-(acryloylamino)-1-(4-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-1-piperazinyl)-1-oxo-2-hexanyl]carbamate | C33H41N5O6S

Benzyl [(2S)-6-(acryloylamino)-1-(4-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-1-piperazinyl)-1-oxo-2-hexanyl]carbamate

  • Molecular FormulaC33H41N5O6S
  • Average mass635.773 Da
  • Monoisotopic mass635.277771 Da
  • ChemSpider ID76800487

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-6-(Acryloylamino)-1-(4-{[5-(diméthylamino)-1-naphtyl]sulfonyl}-1-pipérazinyl)-1-oxo-2-hexanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-6-(acryloylamino)-1-(4-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-1-piperazinyl)-1-oxo-2-hexanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-6-(acryloylamino)-1-(4-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-1-piperazinyl)-1-oxo-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[4-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-1-piperazinyl]carbonyl]-5-[(1-oxo-2-propen-1-yl)amino]pentyl]-, phenylmethyl ester [ACD/Index Name]
2088001-23-2 [RN]
VA4 TG2 inhibitor

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: 1.615
Molar Refractivity: 175.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 309.04
ACD/KOC (pH 5.5): 2087.58
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 319.84
ACD/KOC (pH 7.4): 2160.58
Polar Surface Area: 137 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 502.2±3.0 cm3

Click to predict properties on the Chemicalize site


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