ChemSpider 2D Image | Methyl N-{[(2R)-4-(phenylcarbamoyl)-1-(phenylsulfonyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate | C27H29N5O6S

Methyl N-{[(2R)-4-(phenylcarbamoyl)-1-(phenylsulfonyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate

  • Molecular FormulaC27H29N5O6S
  • Average mass551.614 Da
  • Monoisotopic mass551.183838 Da
  • ChemSpider ID21389107

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyridinepropanoic acid, α-[[[(2R)-4-[(phenylamino)carbonyl]-1-(phenylsulfonyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (αR)- [ACD/Index Name]
Methyl N-{[(2R)-4-(phenylcarbamoyl)-1-(phenylsulfonyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate [ACD/IUPAC Name]
Methyl-N-{[(2R)-4-(phenylcarbamoyl)-1-(phenylsulfonyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninat [German] [ACD/IUPAC Name]
N-{[(2R)-4-(Phénylcarbamoyl)-1-(phénylsulfonyl)-2-pipérazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate de méthyle [French] [ACD/IUPAC Name]

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: 1.637
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 23.01
ACD/KOC (pH 5.5): 302.78
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.53
ACD/KOC (pH 7.4): 401.67
Polar Surface Area: 146 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 401.8±3.0 cm3

Click to predict properties on the Chemicalize site


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