ChemSpider 2D Image | Nalpha-{2-Fluoro-4-[4-(2-thienylsulfonyl)-1-piperazinyl]benzoyl}-N-4-pyridinyl-D-tryptophanamide | C31H29FN6O4S2

Nα-{2-Fluoro-4-[4-(2-thienylsulfonyl)-1-piperazinyl]benzoyl}-N-4-pyridinyl-D-tryptophanamide

  • Molecular FormulaC31H29FN6O4S2
  • Average mass632.728 Da
  • Monoisotopic mass632.167542 Da
  • ChemSpider ID35034407

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-[[2-fluoro-4-[4-(2-thienylsulfonyl)-1-piperazinyl]benzoyl]amino]-N-4-pyridinyl-, (αR)- [ACD/Index Name]
2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]-4-(4-Thiophen-2-Ylsulfonylpiperazin-1-Yl)benzamide
Nα-{2-Fluor-4-[4-(2-thienylsulfonyl)-1-piperazinyl]benzoyl}-N-4-pyridinyl-D-tryptophanamid [German] [ACD/IUPAC Name]
Nα-{2-Fluoro-4-[4-(2-thienylsulfonyl)-1-piperazinyl]benzoyl}-N-4-pyridinyl-D-tryptophanamide [ACD/IUPAC Name]
Nα-{2-Fluoro-4-[4-(2-thiénylsulfonyl)-1-pipérazinyl]benzoyl}-N-4-pyridinyl-D-tryptophaneamide [French] [ACD/IUPAC Name]
T9H

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 167.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 103.79
ACD/KOC (pH 5.5): 754.79
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.97
ACD/KOC (pH 7.4): 1759.74
Polar Surface Area: 164 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 434.8±3.0 cm3

Click to predict properties on the Chemicalize site


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